4-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(2-methylanilino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-(2-methylanilino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-(2-methylanilino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-keto-2-(o-toluidino)ethyl]thio]benzoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=CC=C(C=C2)C(=O)O

InChI

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