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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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