[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethyl-3-thiophenyl)-4-oxobutanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethyl-3-thienyl)-4-keto-butyric acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C18H21N3O4S MolecularWeight: 375.44204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C18H21N3O4S/c1-13-11-15(14(2)26-13)16(22)5-6-18(24)25-12-17(23)21(9-3-7-19)10-4-8-20/h11H,3-6,9-10,12H2,1-2H3