2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]nicotinic acid Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C14H18N2O3S/c1-10-4-7-16(8-5-10)12(17)9-20-13-11(14(18)19)3-2-6-15-13/h2-3,6,10H,4-5,7-9H2,1H3,(H,18,19)