2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(3-methylanilino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]benzoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H15NO3S/c1-11-5-4-6-12(9-11)17-15(18)10-21-14-8-3-2-7-13(14)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)