[2-[(2R)-2-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(2R)-2-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[(2R)-2-carbamoyl-1-piperidyl]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[(2R)-2-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[(2R)-2-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)N2CCCCC2C(=O)N

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)N2CCCC[C@@H]2C(=O)N

InChI

InChI=1S/C15H19N3O4S/c1-23-14-10(5-4-7-17-14)15(21)22-9-12(19)18-8-3-2-6-11(18)13(16)20/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,16,20)/t11-/m1/s1