(2S)-2-methyl-4-[(2-methylsulfanylphenyl)amino]-4-oxidanylidene-2-phenyl-butanoate

Systemtic Name: (2S)-2-methyl-4-[(2-methylsulfanylphenyl)amino]-4-oxidanylidene-2-phenyl-butanoate Openeye Name: (2S)-2-methyl-4-(2-methylsulfanylanilino)-4-oxo-2-phenyl-butanoate CAS Name: (2S)-2-methyl-4-[2-(methylthio)anilino]-4-oxo-2-phenylbutanoate IUPAC Name: (2S)-2-methyl-4-(2-methylsulfanylanilino)-4-oxo-2-phenylbutanoate Traditional Name: (2S)-4-keto-2-methyl-4-[2-(methylthio)anilino]-2-phenyl-butyrate Formula: C18H18NO3S- MolecularWeight: 328.40542

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=CC=C1SC)(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[C@](CC(=O)NC1=CC=CC=C1SC)(C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C18H19NO3S/c1-18(17(21)22,13-8-4-3-5-9-13)12-16(20)19-14-10-6-7-11-15(14)23-2/h3-11H,12H2,1-2H3,(H,19,20)(H,21,22)/p-1/t18-/m0/s1