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

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C21H22O6S MolecularWeight: 402.46078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O6S/c1-25-19-10-6-15(12-20(19)26-2)18(23)13-27-21(24)11-9-17(22)14-4-7-16(28-3)8-5-14/h4-8,10,12H,9,11,13H2,1-3H3