methyl 1-(2-pyridin-4-ylsulfanylethanoyl)piperidine-4-carboxylate

Systemtic Name: methyl 1-(2-pyridin-4-ylsulfanylethanoyl)piperidine-4-carboxylate Openeye Name: methyl 1-[2-(4-pyridylsulfanyl)acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-(pyridin-4-ylthio)ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-pyridin-4-ylsulfanylacetyl)piperidine-4-carboxylate Traditional Name: 1-[2-(4-pyridylthio)acetyl]isonipecotic acid methyl ester Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=CC=NC=C2

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=CC=NC=C2

InChI

InChI=1S/C14H18N2O3S/c1-19-14(18)11-4-8-16(9-5-11)13(17)10-20-12-2-6-15-7-3-12/h2-3,6-7,11H,4-5,8-10H2,1H3