1-(2-methylsulfanylpyridin-3-yl)carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(2-methylsulfanylpyridin-3-yl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-[2-(methylthio)nicotinoyl]isonipecotic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C13H16N2O3S/c1-19-11-10(3-2-6-14-11)12(16)15-7-4-9(5-8-15)13(17)18/h2-3,6,9H,4-5,7-8H2,1H3,(H,17,18)