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

Systemtic Name: 4-[[4-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanylanilino]-4-oxo-butanoic acid CAS Name: 4-[4-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid Traditional Name: 4-[4-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]anilino]-4-keto-butyric acid Formula: C20H21NO6S MolecularWeight: 403.44884

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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)CCC(=O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6S/c1-26-17-8-3-13(11-18(17)27-2)16(22)12-28-15-6-4-14(5-7-15)21-19(23)9-10-20(24)25/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)(H,24,25)