336535 <common-name>Ethyl 2-(n-[(2,2-dimethyl-3h-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-4-methoxyanilino)acetate</common-name> <description>Ethyl 2-(n-[(2,2-dimethyl-3h-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-4-methoxyanilino)acetate is a chemical compound with the formula C23H28N2O6S. It has an average molecular weight of 460.50 g/mol.</description> <cas>82560-53-0</cas> <pubchem-id>3067979</pubchem-id> <chemical-formula>C23H28N2O6S</chemical-formula> <weight>460.5</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">2026-08-30T19:03:07Z</created-at> <updated-at type="dateTime">2026-08-30T19:03:07Z</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)CN(C1=CC=C(C=C1)OC)SN(C)C(=O)OC2=CC=CC3=C2OC(C3)(C)C</moldb-smiles> <moldb-formula>C23H28N2O6S</moldb-formula> <moldb-inchi>InChI=1S/C23H28N2O6S/c1-6-29-20(26)15-25(17-10-12-18(28-5)13-11-17)32-24(4)22(27)30-19-9-7-8-16-14-23(2,3)31-21(16)19/h7-13H,6,14-15H2,1-5H3</moldb-inchi> <moldb-inchikey>VKAXCLNHFJGFGD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">460.1668078</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.3</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>CHEM332428</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-(n-[(2,2-dimethyl-3h-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-4-methoxyanilino)acetate</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>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0286996</sync-id> <structure-inchikey>VKAXCLNHFJGFGD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>18000000008000000100000000000000000090000000020000000020000002000000400000000000000000000000000000000000000000000010000000000000000000000000000208800000001000002000000000400000400000100000100400000000040000000000200080000800000000000000000010000480000008080800000000000801008000200000000000a0000010020200200000020000000000200082000002000000000000000002000800000000080000000400004000000000000000000000000000008002040000200000000000000000000000000000040000000004400000000000020000000000000004000</structure-fingerprint> 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