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

Systemtic Name: ethyl 1-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(2-thioxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo-(2-sulfanylidene-1H-pyridin-3-yl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thioxo-1H-pyridine-3-carbonyl)isonipecotic acid ethyl ester Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CNC2=S

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CNC2=S

InChI

InChI=1S/C14H18N2O3S/c1-2-19-14(18)10-5-8-16(9-6-10)13(17)11-4-3-7-15-12(11)20/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,15,20)