ethyl 2-oxidanylidene-5-pyridin-2-yl-6-sulfanylidene-piperidine-3-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-5-pyridin-2-yl-6-sulfanylidene-piperidine-3-carboxylate Openeye Name: ethyl 2-oxo-5-(2-pyridyl)-6-thioxo-piperidine-3-carboxylate CAS Name: 2-oxo-5-(2-pyridinyl)-6-sulfanylidene-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-5-pyridin-2-yl-6-sulfanylidenepiperidine-3-carboxylate Traditional Name: 2-keto-5-(2-pyridyl)-6-thioxo-nipecotic acid ethyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(C(=S)NC1=O)C2=CC=CC=N2

Isomeric SMILES

CCOC(=O)C1CC(C(=S)NC1=O)C2=CC=CC=N2

InChI

InChI=1S/C13H14N2O3S/c1-2-18-13(17)9-7-8(12(19)15-11(9)16)10-5-3-4-6-14-10/h3-6,8-9H,2,7H2,1H3,(H,15,16,19)