1-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetyl]isonipecotic acid Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCC(CC2)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCC(CC2)C(=O)O)C

InChI

InChI=1S/C16H19N3O3S/c1-10-7-11(2)18-15(13(10)8-17)23-9-14(20)19-5-3-12(4-6-19)16(21)22/h7,12H,3-6,9H2,1-2H3,(H,21,22)