ethyl 4-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(2-thioxo-1H-pyridine-3-carbonyl)piperazine-1-carboxylate CAS Name: 4-[oxo-(2-sulfanylidene-1H-pyridin-3-yl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(2-thioxo-1H-pyridine-3-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C13H17N3O3S MolecularWeight: 295.35738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CNC2=S

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CNC2=S

InChI

InChI=1S/C13H17N3O3S/c1-2-19-13(18)16-8-6-15(7-9-16)12(17)10-4-3-5-14-11(10)20/h3-5H,2,6-9H2,1H3,(H,14,20)