[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-keto-2-[4-(2-thenoyl)piperazino]ethyl] ester Formula: C23H21N3O4S2 MolecularWeight: 467.56054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H21N3O4S2/c27-20(25-11-13-26(14-12-25)22(28)19-9-5-15-31-19)16-30-23(29)18-8-4-10-24-21(18)32-17-6-2-1-3-7-17/h1-10,15H,11-14,16H2