2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(3,4-dimethoxyanilino)-2-keto-ethyl]thio]benzoic acid Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)O)OC

InChI

InChI=1S/C17H17NO5S/c1-22-13-8-7-11(9-14(13)23-2)18-16(19)10-24-15-6-4-3-5-12(15)17(20)21/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)