[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C23H22N4O3S MolecularWeight: 434.51078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)COC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)COC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O3S/c28-21(27-15-13-26(14-16-27)20-10-4-5-11-24-20)17-30-23(29)19-9-6-12-25-22(19)31-18-7-2-1-3-8-18/h1-12H,13-17H2