1-(2-pyridin-4-ylsulfanylethanoyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(2-pyridin-4-ylsulfanylethanoyl)piperidine-3-carboxylic acid Openeye Name: 1-[2-(4-pyridylsulfanyl)acetyl]piperidine-3-carboxylic acid CAS Name: 1-[1-oxo-2-(pyridin-4-ylthio)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(2-pyridin-4-ylsulfanylacetyl)piperidine-3-carboxylic acid Traditional Name: 1-[2-(4-pyridylthio)acetyl]nipecotic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=CC=NC=C2)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CSC2=CC=NC=C2)C(=O)O

InChI

InChI=1S/C13H16N2O3S/c16-12(9-19-11-3-5-14-6-4-11)15-7-1-2-10(8-15)13(17)18/h3-6,10H,1-2,7-9H2,(H,17,18)