[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C13H13ClN2O4S MolecularWeight: 328.77132

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Cl)C(=O)CCC(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=C(SC(=C1)Cl)C(=O)CCC(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C13H13ClN2O4S/c14-11-4-3-10(21-11)9(17)2-5-13(19)20-8-12(18)16-7-1-6-15/h3-4H,1-2,5,7-8H2,(H,16,18)