[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 2-[(3,4-dimethoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 2-[(3,4-dimethoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 2-[(3,4-dimethoxybenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-(veratroylamino)butyric acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C22H24ClNO6S MolecularWeight: 465.94706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(CCSC)C(=O)OCC(=O)C2=CC=C(C=C2)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(CCSC)C(=O)OCC(=O)C2=CC=C(C=C2)Cl)OC

InChI

InChI=1S/C22H24ClNO6S/c1-28-19-9-6-15(12-20(19)29-2)21(26)24-17(10-11-31-3)22(27)30-13-18(25)14-4-7-16(23)8-5-14/h4-9,12,17H,10-11,13H2,1-3H3,(H,24,26)