[2-(dimethylamino)-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-2-benzofurancarboxylic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]coumarilic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C20H18ClNO4S MolecularWeight: 403.87922

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)COC(=O)C1=C(C2=CC=CC=C2O1)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C)C(=O)COC(=O)C1=C(C2=CC=CC=C2O1)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClNO4S/c1-22(2)18(23)11-25-20(24)19-16(15-5-3-4-6-17(15)26-19)12-27-14-9-7-13(21)8-10-14/h3-10H,11-12H2,1-2H3