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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@H](C)SC2=CC=CC=C2C(=O)O

InChI

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