2-methyl-4-[(2-methylsulfanylphenyl)amino]-4-oxidanylidene-2-phenyl-butanoic acid

Systemtic Name: 2-methyl-4-[(2-methylsulfanylphenyl)amino]-4-oxidanylidene-2-phenyl-butanoic acid Openeye Name: 2-methyl-4-(2-methylsulfanylanilino)-4-oxo-2-phenyl-butanoic acid CAS Name: 2-methyl-4-[2-(methylthio)anilino]-4-oxo-2-phenylbutanoic acid IUPAC Name: 2-methyl-4-(2-methylsulfanylanilino)-4-oxo-2-phenylbutanoic acid Traditional Name: 4-keto-2-methyl-4-[2-(methylthio)anilino]-2-phenyl-butyric acid Formula: C18H19NO3S MolecularWeight: 329.41336

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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

CC(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)