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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(=O)CSC2=CC=NC=C2

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(=O)CSC2=CC=NC=C2

InChI

InChI=1S/C13H16N2O3S/c16-12(9-19-10-4-6-14-7-5-10)15-8-2-1-3-11(15)13(17)18/h4-7,11H,1-3,8-9H2,(H,17,18)