[1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H20ClNO6S MolecularWeight: 425.8832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)CCC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)CCC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C19H20ClNO6S/c1-11(19(24)21-12-4-6-14(25-2)15(10-12)26-3)27-18(23)9-5-13(22)16-7-8-17(20)28-16/h4,6-8,10-11H,5,9H2,1-3H3,(H,21,24)