2-[(2S)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[(2S)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[(1S)-1-methyl-2-oxo-2-(1-piperidyl)ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[(2S)-1-oxo-1-(1-piperidinyl)propan-2-yl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-piperidino-ethyl]thio]nicotinate Formula: C14H17N2O3S- MolecularWeight: 293.36138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)SC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)N1CCCCC1)SC2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C14H18N2O3S/c1-10(13(17)16-8-3-2-4-9-16)20-12-11(14(18)19)6-5-7-15-12/h5-7,10H,2-4,8-9H2,1H3,(H,18,19)/p-1/t10-/m0/s1