2-[[4-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C24H21NO6S MolecularWeight: 451.49164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)OC

InChI

InChI=1S/C24H21NO6S/c1-30-21-12-7-15(13-22(21)31-2)20(26)14-32-17-10-8-16(9-11-17)25-23(27)18-5-3-4-6-19(18)24(28)29/h3-13H,14H2,1-2H3,(H,25,27)(H,28,29)