methyl 3-[[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[2-(4-acetamidoanilino)-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-(4-acetamidoanilino)-2-oxoethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-(4-acetamidoanilino)-2-keto-ethyl]thio]methyl]benzoic acid methyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CSCC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CSCC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C19H20N2O4S/c1-13(22)20-16-6-8-17(9-7-16)21-18(23)12-26-11-14-4-3-5-15(10-14)19(24)25-2/h3-10H,11-12H2,1-2H3,(H,20,22)(H,21,23)