[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C16H16ClN3O4S MolecularWeight: 381.83394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O4S/c17-14-5-4-13(25-14)12(21)3-6-16(23)24-11-15(22)20(9-1-7-18)10-2-8-19/h4-5H,1-3,6,9-11H2