3-[[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[2-(4-methylanilino)-2-oxo-ethyl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[2-(4-methylanilino)-2-oxoethyl]thio]methyl]benzoic acid IUPAC Name: 3-[[2-(4-methylanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[2-keto-2-(p-toluidino)ethyl]thio]methyl]benzoic acid Formula: C17H17NO3S MolecularWeight: 315.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCC2=CC=CC(=C2)C(=O)O

InChI

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