2-methyl-4-[(3-methylsulfanylphenyl)amino]-4-oxidanylidene-2-phenyl-butanoic acid

Systemtic Name: 2-methyl-4-[(3-methylsulfanylphenyl)amino]-4-oxidanylidene-2-phenyl-butanoic acid Openeye Name: 2-methyl-4-(3-methylsulfanylanilino)-4-oxo-2-phenyl-butanoic acid CAS Name: 2-methyl-4-[3-(methylthio)anilino]-4-oxo-2-phenylbutanoic acid IUPAC Name: 2-methyl-4-(3-methylsulfanylanilino)-4-oxo-2-phenylbutanoic acid Traditional Name: 4-keto-2-methyl-4-[3-(methylthio)anilino]-2-phenyl-butyric acid Formula: C18H19NO3S MolecularWeight: 329.41336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC(=CC=C1)SC)(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(CC(=O)NC1=CC(=CC=C1)SC)(C2=CC=CC=C2)C(=O)O

InChI

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