[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-chlorophenyl)-3-methyl-butanoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] (2R)-2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: (2R)-2-(4-chlorophenyl)-3-methylbutanoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: (2R)-2-(4-chlorophenyl)-3-methyl-butyric acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OCC(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

CC(C)[C@H](C1=CC=C(C=C1)Cl)C(=O)OCC(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C20H22ClNO3S/c1-13(2)19(14-7-9-15(21)10-8-14)20(24)25-12-18(23)22-16-5-4-6-17(11-16)26-3/h4-11,13,19H,12H2,1-3H3,(H,22,23)/t19-/m1/s1