1-(2-pyridin-4-ylsulfanylethanoyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(2-pyridin-4-ylsulfanylethanoyl)piperidine-4-carboxylic acid Openeye Name: 1-[2-(4-pyridylsulfanyl)acetyl]piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-2-(pyridin-4-ylthio)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2-pyridin-4-ylsulfanylacetyl)piperidine-4-carboxylic acid Traditional Name: 1-[2-(4-pyridylthio)acetyl]isonipecotic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CSC2=CC=NC=C2

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CSC2=CC=NC=C2

InChI

InChI=1S/C13H16N2O3S/c16-12(9-19-11-1-5-14-6-2-11)15-7-3-10(4-8-15)13(17)18/h1-2,5-6,10H,3-4,7-9H2,(H,17,18)