324511 <common-name>Ethyl 2-[butyl-[(2,2-dimethyl-3h-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylamino]acetate</common-name> <description>Ethyl 2-[butyl-[(2,2-dimethyl-3h-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylamino]acetate is a chemical compound with the formula C20H30N2O5S. It has an average molecular weight of 410.50 g/mol.</description> <cas>82560-30-3</cas> <pubchem-id>3067959</pubchem-id> <chemical-formula>C20H30N2O5S</chemical-formula> <weight>410.5</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">2026-08-30T01:45:52Z</created-at> <updated-at type="dateTime">2026-08-30T01:45:52Z</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>CCCCN(CC(=O)OCC)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C</moldb-smiles> <moldb-formula>C20H30N2O5S</moldb-formula> <moldb-inchi>InChI=1S/C20H30N2O5S/c1-6-8-12-22(14-17(23)25-7-2)28-21(5)19(24)26-16-11-9-10-15-13-20(3,4)27-18(15)16/h9-11H,6-8,12-14H2,1-5H3</moldb-inchi> <moldb-inchikey>QWRVJWCQFMKOOV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">410.1875432</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.1</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>CHEM320404</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-[butyl-[(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>CED0275166</sync-id> <structure-inchikey>QWRVJWCQFMKOOV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>18000000008000000140000000010000000010000000000000000020000000000000c00000000000000000000000000000000000000000000010000000000000100000000000000208800000001000000000000000000000000200100000000000000000040000000000200080000080000000000000000010000480000008000800000000000801008000200000000000a0000010020200200000020000000000200082000002000000000000000002000800000000000000000000004000000000000000000000000000008002040000200000000000000000000000000000040000000810400000101000020000000000000004000</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">2026-09-19T05:28:39Z</structure-indexed-at> </compound>