309498 <common-name>Ethyl 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate</common-name> <description>Ethyl 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate is a compound with the chemical formula C17H27NO4S. It has an average molecular weight of 341.50 g/mol.</description> <cas>85462-75-5</cas> <pubchem-id>55332</pubchem-id> <chemical-formula>C17H27NO4S</chemical-formula> <weight>341.5</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">2026-08-29T04:03:57Z</created-at> <updated-at type="dateTime">2026-08-29T04:03:57Z</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>CCOC(=O)C1=C(C2=C(S1)CCCC2)OCC(CNC(C)C)O</moldb-smiles> <moldb-formula>C17H27NO4S</moldb-formula> <moldb-inchi>InChI=1S/C17H27NO4S/c1-4-21-17(20)16-15(13-7-5-6-8-14(13)23-16)22-10-12(19)9-18-11(2)3/h11-12,18-19H,4-10H2,1-3H3</moldb-inchi> <moldb-inchikey>YAGCAGDJBAFDJR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">341.1660795</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.1</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>CHEM305391</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 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-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>Thiophenes</klass> <subklass>Thiophene carboxylic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0260491</sync-id> <structure-inchikey>YAGCAGDJBAFDJR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000002000000000804000000200000050002040000000000008100000000000001002000200000400000040000000000000000200000000000000000000000000000000000000000002000000000020200010000100000000004000010000060000010000000400000000000000000000020000000000000000000000000800000040000000000080002000000080000000000000000000020000000001000000000000000000000000080100000000000000080000000000000000000000000000020000000000000000000000000000000000002000200000000000000000004000000000000000000000000400000000000000000000000000020200</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAXAAAAGAAAAIABBgBgAAAAAQMGAGAAAAAC AggAKAAAAAMCBgAoAAAAAwQIACgAAAADAgZAKAAAAAMEBkAoAAAAAwQGQCgA AAADBAZAKAAAAAMEEEAoAAAAAwIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIG AGAAAAACAggAKAAAAAMCBgBgAAAAAgIGAGAAAAADAQYAYAAAAAICBwBgAAAA AgEGAGAAAAADAQYAYAAAAAEDBgBgAAAAAQMIAGAAAAABAQsAAQABAgACAyAD BCgCAwUgBQZoDAYHaAwHCGgMCAloDAgKAAoLAAsMAAwNAAYOIA4PAA8QABAR ABESABITABMUABMVABAWAAkFaAwNBwBCAgAAAAUFBgcICQYKCwwNBwgXBAAA AAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:17:10Z</structure-indexed-at> </compound>