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

Systemtic Name: (2S)-4-[(4-methylsulfanylphenyl)amino]-4-oxidanylidene-2-phenyl-butanoate Openeye Name: (2S)-4-(4-methylsulfanylanilino)-4-oxo-2-phenyl-butanoate CAS Name: (2S)-4-[4-(methylthio)anilino]-4-oxo-2-phenylbutanoate IUPAC Name: (2S)-4-(4-methylsulfanylanilino)-4-oxo-2-phenylbutanoate Traditional Name: (2S)-4-keto-4-[4-(methylthio)anilino]-2-phenyl-butyrate Formula: C17H16NO3S- MolecularWeight: 314.37884

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)CC(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)C[C@@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C17H17NO3S/c1-22-14-9-7-13(8-10-14)18-16(19)11-15(17(20)21)12-5-3-2-4-6-12/h2-10,15H,11H2,1H3,(H,18,19)(H,20,21)/p-1/t15-/m0/s1