2-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(2,5-dimethylanilino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(2,5-dimethylanilino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(2,5-dimethylanilino)-2-keto-ethyl]thio]benzoic acid Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO3S/c1-11-7-8-12(2)14(9-11)18-16(19)10-22-15-6-4-3-5-13(15)17(20)21/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)