[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate CAS Name: (2S)-2-[(4-chlorophenyl)thio]propanoic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate Traditional Name: (2S)-2-[(4-chlorophenyl)thio]propionic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)C(C)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)[C@H](C)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H18ClNO3S/c1-12-5-3-4-6-16(12)20-17(21)11-23-18(22)13(2)24-15-9-7-14(19)8-10-15/h3-10,13H,11H2,1-2H3,(H,20,21)/t13-/m0/s1