2-[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 2-[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl]thio]benzoic acid Formula: C17H17NO3S MolecularWeight: 315.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H17NO3S/c1-11-6-5-7-13(10-11)18-16(19)12(2)22-15-9-4-3-8-14(15)17(20)21/h3-10,12H,1-2H3,(H,18,19)(H,20,21)/t12-/m0/s1