313942 <common-name>Methyl 2-[[(2,2-dimethyl-3h-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-(2-methoxy-2-oxoethyl)amino]acetate</common-name> <description>Methyl 2-[[(2,2-dimethyl-3h-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-(2-methoxy-2-oxoethyl)amino]acetate is a chemical compound with the formula C18H24N2O7S. It has an average molecular weight of 412.50 g/mol.</description> <cas>82560-35-8</cas> <pubchem-id>3067964</pubchem-id> <chemical-formula>C18H24N2O7S</chemical-formula> <weight>412.5</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">2026-08-29T10:52:16Z</created-at> <updated-at type="dateTime">2026-08-29T10:52:16Z</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>CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SN(CC(=O)OC)CC(=O)OC)C</moldb-smiles> <moldb-formula>C18H24N2O7S</moldb-formula> <moldb-inchi>InChI=1S/C18H24N2O7S/c1-18(2)9-12-7-6-8-13(16(12)27-18)26-17(23)19(3)28-20(10-14(21)24-4)11-15(22)25-5/h6-8H,9-11H2,1-5H3</moldb-inchi> <moldb-inchikey>GWOAVIJKUNFHGG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">412.1304223</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>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>CHEM309835</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>Methyl 2-[[(2,2-dimethyl-3h-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-(2-methoxy-2-oxoethyl)amino]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>CED0264841</sync-id> <structure-inchikey>GWOAVIJKUNFHGG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000000000008001800000000800000004000000001010000000000000000000000000000000000000040000000000000000000000000000000000000000000001000000000000000000000000000020880000000100000000000000000000000000010000000040000000004000000000020008000000000000000000000001000048000000800080000000000080100800020000000000080000010020200200000020000000000200082000002000000000000000002000800000000000000000000004000000000000000000000000000008000040000200000000000000000000000000000040000000800400000000000020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������`������@(������@(�������(������@(������@h�������@h�������@h��������(�������(�������(�������(�������`������� ������ ������`�������(�������(�������(�������`�������`�������(�������(�������(�������`�������`�����������������h��� ��h���h���h�� h�� � ��(�� �� �������������(��� �����������(��� ��������� �h�B�������������� ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:20:30Z</structure-indexed-at> </compound>