2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(2,6-dimethylpiperidino)-2-keto-ethyl]thio]nicotinic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=C(C=CC=N2)C(=O)O)C

Isomeric SMILES

CC1CCCC(N1C(=O)CSC2=C(C=CC=N2)C(=O)O)C

InChI

InChI=1S/C15H20N2O3S/c1-10-5-3-6-11(2)17(10)13(18)9-21-14-12(15(19)20)7-4-8-16-14/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,19,20)