[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester Formula: C20H22ClNO6S MolecularWeight: 439.90978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=C(S2)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=C(S2)Cl)OCC

InChI

InChI=1S/C20H22ClNO6S/c1-3-26-15-7-5-13(11-16(15)27-4-2)22-19(24)12-28-20(25)10-6-14(23)17-8-9-18(21)29-17/h5,7-9,11H,3-4,6,10,12H2,1-2H3,(H,22,24)