336528 <common-name>Ethyl 2-[benzyl-[(2,2-dimethyl-3h-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylamino]acetate</common-name> <description>Ethyl 2-[benzyl-[(2,2-dimethyl-3h-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylamino]acetate is a chemical compound with the formula C23H28N2O5S. It has an average molecular weight of 444.50 g/mol.</description> <cas>82560-50-7</cas> <pubchem-id>3067976</pubchem-id> <chemical-formula>C23H28N2O5S</chemical-formula> <weight>444.5</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">2026-08-30T19:02:34Z</created-at> <updated-at type="dateTime">2026-08-30T19:02:34Z</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(CC1=CC=CC=C1)SN(C)C(=O)OC2=CC=CC3=C2OC(C3)(C)C</moldb-smiles> <moldb-formula>C23H28N2O5S</moldb-formula> <moldb-inchi>InChI=1S/C23H28N2O5S/c1-5-28-20(26)16-25(15-17-10-7-6-8-11-17)31-24(4)22(27)29-19-13-9-12-18-14-23(2,3)30-21(18)19/h6-13H,5,14-16H2,1-4H3</moldb-inchi> <moldb-inchikey>NHIVIYUURNFTSB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">444.1718932</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5</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>CHEM332421</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-[benzyl-[(2,2-dimethyl-3h-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylamino]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>CED0286989</sync-id> <structure-inchikey>NHIVIYUURNFTSB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>18000000008000000140000000010000000010000000000000000020000000000000400000000040000000000000000000400000000100000010000000000000000000000000000208800000001000000000000000000000000000100000000000000000040000000000200080000000000010000000000010000482000008000800000000010801008000201000000000a0000010020200200000020000000000200082000002000000000000000002000800000000000000000000004000000000000000000000000000008002040000220000000000000000000000000000040000000800400000000000020000000000000004000</structure-fingerprint> 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