2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]nicotinate Formula: C15H19N2O3S- MolecularWeight: 307.38796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=C(C=CC=N2)C(=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=C(C=CC=N2)C(=O)[O-])C

InChI

InChI=1S/C15H20N2O3S/c1-10-6-11(2)8-17(7-10)13(18)9-21-14-12(15(19)20)4-3-5-16-14/h3-5,10-11H,6-9H2,1-2H3,(H,19,20)/p-1