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

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-2-benzofurancarboxylic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]coumarilic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C25H20ClNO4S MolecularWeight: 465.9486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H20ClNO4S/c1-16-6-2-4-8-21(16)27-23(28)14-30-25(29)24-20(19-7-3-5-9-22(19)31-24)15-32-18-12-10-17(26)11-13-18/h2-13H,14-15H2,1H3,(H,27,28)