[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C22H18N4O3S MolecularWeight: 418.46832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C22H18N4O3S/c23-9-4-11-26(12-5-10-24)21(27)15-29-22(28)17-14-19(20-8-3-13-30-20)25-18-7-2-1-6-16(17)18/h1-3,6-8,13-14H,4-5,11-12,15H2