<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">350532</id>
  <title nil="true"/>
  <common-name>Ethyl 2-[(4e)-4-[(4-ethoxy-3-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-(4-prop-2-enoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate</common-name>
  <description>Ethyl 2-[(4e)-4-[(4-ethoxy-3-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-(4-prop-2-enoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate is a chemical compound with the formula C30H30N2O7S. With an average molecular weight of 562.60 g/mol, Ethyl 2-[(4e)-4-[(4-ethoxy-3-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-(4-prop-2-enoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate is a heavy molecule.</description>
  <cas>609794-14-1</cas>
  <pubchem-id>5940939</pubchem-id>
  <chemical-formula>C30H30N2O7S</chemical-formula>
  <weight>562.6</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-31T15:39:33Z</created-at>
  <updated-at type="dateTime">2026-08-31T15:39:33Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OCC)C)C4=CC=C(C=C4)OCC=C)O)C</moldb-smiles>
  <moldb-formula>C30H30N2O7S</moldb-formula>
  <moldb-inchi>InChI=1S/C30H30N2O7S/c1-6-15-39-21-12-9-19(10-13-21)24-23(25(33)20-11-14-22(37-7-2)17(4)16-20)26(34)28(35)32(24)30-31-18(5)27(40-30)29(36)38-8-3/h6,9-14,16,24,33H,1,7-8,15H2,2-5H3/b25-23+</moldb-inchi>
  <moldb-inchikey>XDJZDDAXPALMSY-WJTDDFOZSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">562.1773725</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.1</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM346425</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>Ethyl 2-[(4e)-4-[(4-ethoxy-3-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-(4-prop-2-enoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Pyrrolidines</klass>
  <subklass>Phenylpyrrolidines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0300837</sync-id>
  <structure-inchikey>XDJZDDAXPALMSY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000800a02000000000050002010000000000000000400000000040002000020200000000000002004008000004000000000000000000000000000000000000000020000000000000020000010000300000200000000010000041000010000000400000000110000000000001108000000000000001000101000000040000000000000440000000000000000000000000000020020000101000000000000000000000200084100000008100000080000080000000000000010000040000000004000000020040000000000004000002800000200000000000010000000000001000040000008000420000000100020040000000800000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAoAAAAKwAAAIABBgBgAAAAAQMGAGAAAAAC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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:48:31Z</structure-indexed-at>
</compound>
