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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)C(C)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)[C@H](C)SC2=CC=C(C=C2)Cl

InChI

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