<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">296258</id>
  <title nil="true"/>
  <common-name>Ethyl 5-ethyl-2,4-dioxo-6-phenyl-1,3-thiazine-3-carboxylate</common-name>
  <description>Ethyl 5-ethyl-2,4-dioxo-6-phenyl-1,3-thiazine-3-carboxylate belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound has the chemical formula C15H15NO4S and an average molecular weight of 305.40 g/mol.</description>
  <cas>74007-81-1</cas>
  <pubchem-id>3057261</pubchem-id>
  <chemical-formula>C15H15NO4S</chemical-formula>
  <weight>305.4</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">2026-08-28T12:23:47Z</created-at>
  <updated-at type="dateTime">2026-08-28T12:23:47Z</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>CCC1=C(SC(=O)N(C1=O)C(=O)OCC)C2=CC=CC=C2</moldb-smiles>
  <moldb-formula>C15H15NO4S</moldb-formula>
  <moldb-inchi>InChI=1S/C15H15NO4S/c1-3-11-12(10-8-6-5-7-9-10)21-15(19)16(13(11)17)14(18)20-4-2/h5-9H,3-4H2,1-2H3</moldb-inchi>
  <moldb-inchikey>BTHSXVKALBMZQT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">305.0721791</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.3</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>CHEM292151</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 5-ethyl-2,4-dioxo-6-phenyl-1,3-thiazine-3-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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0247664</sync-id>
  <structure-inchikey>BTHSXVKALBMZQT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>10000800000000000000010002000000000000000000000000000000002000020400000000000000004000400000000000000000000000080000000000800000000000000000000000020100010020100000000008000000000000000010000000000000000080000000002000100000000000000000000000000000040400000800000000000000000800000000100000000020000000000200000000002000000000000080000000000000000000040000000000000000000000000000000000000000000000000000000000000002000000200000000000100001000000000000040000000000400000000000000000000000000002000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������@(������@(������@(������@(�������(������@(������@(�������(�������(�������(�������(�������`�������`������@(������@h�������@h�������@h�������@h�������@h���������������h���h���h���(���h���h��	(��
 
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� ������ ��h���h���h���h���h���h���h�B����������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:07:32Z</structure-indexed-at>
</compound>
