[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6S/c1-26-18-10-6-15(12-19(18)27-2)22-20(24)13-28-21(25)11-9-17(23)14-4-7-16(29-3)8-5-14/h4-8,10,12H,9,11,13H2,1-3H3,(H,22,24)