2-[2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(5-chloro-2,4-dimethoxy-anilino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(5-chloro-2,4-dimethoxy-anilino)-2-keto-ethyl]thio]benzoic acid Formula: C17H16ClNO5S MolecularWeight: 381.83064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CSC2=CC=CC=C2C(=O)O)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CSC2=CC=CC=C2C(=O)O)Cl)OC

InChI

InChI=1S/C17H16ClNO5S/c1-23-13-8-14(24-2)12(7-11(13)18)19-16(20)9-25-15-6-4-3-5-10(15)17(21)22/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22)