2-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]thio]benzoic acid Formula: C16H14ClNO3S MolecularWeight: 335.80526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H14ClNO3S/c1-10-12(17)6-4-7-13(10)18-15(19)9-22-14-8-3-2-5-11(14)16(20)21/h2-8H,9H2,1H3,(H,18,19)(H,20,21)