[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C17H16N4O3S MolecularWeight: 356.39894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=C(SC=C2)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CN(C=C1)C2=C(SC=C2)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C17H16N4O3S/c18-6-3-10-21(11-4-7-19)15(22)13-24-17(23)16-14(5-12-25-16)20-8-1-2-9-20/h1-2,5,8-9,12H,3-4,10-11,13H2