318206 <common-name>2-(diethylamino)ethyl 4-(5,7-dioxo-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrol-6-yl)benzoate</common-name> <description>2-(diethylamino)ethyl 4-(5,7-dioxo-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrol-6-yl)benzoate is a chemical compound with the formula C19H22N2O4S2. It has an average molecular weight of 406.50 g/mol.</description> <cas nil="true"/> <pubchem-id>41140</pubchem-id> <chemical-formula>C19H22N2O4S2</chemical-formula> <weight>406.5</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">2026-08-29T16:27:07Z</created-at> <updated-at type="dateTime">2026-08-29T16:27:07Z</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>CCN(CC)CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)SCCS3</moldb-smiles> <moldb-formula>C19H22N2O4S2</moldb-formula> <moldb-inchi>InChI=1S/C19H22N2O4S2/c1-3-20(4-2)9-10-25-19(24)13-5-7-14(8-6-13)21-17(22)15-16(18(21)23)27-12-11-26-15/h5-8H,3-4,9-12H2,1-2H3</moldb-inchi> <moldb-inchikey>KPMXIICLGYZWRY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">406.1020995</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.9</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>CHEM314099</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>2-(diethylamino)ethyl 4-(5,7-dioxo-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrol-6-yl)benzoate</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Benzoic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0269011</sync-id> <structure-inchikey>KPMXIICLGYZWRY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000800000000000000050040000000200000000004000100000000002000020000000000000000000000000000000000000000000000000000000000000000000000002000800000020000010000100000000000000000000000400011000000000000000014000000000020900000000000080000000000000000040000000000000000000000000000080010800000000000000000000000000200000000000000000084000000000000000000000000000000000200000000000000000800000000000000000080002004000000000000210000000000000000040000000000040000000000400000001000000040000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������`�������`�������`�������`�������(�������(�������(������@(������@h�������@h�������@(������@h�������@h��������(�������(�������(�������(�������(�������(�������(������� ������`�������`������� ���������������������������� � (�� �h���h�� h� �h���h� � �� ��(��� ��(��� ��(�������������� h��� ���B����� �� �������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:23:48Z</structure-indexed-at> </compound>