1-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[5-(trifluoromethyl)-2-pyridyl]thio]acetyl]isonipecotic acid Formula: C14H15F3N2O3S MolecularWeight: 348.34071

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CSC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CSC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C14H15F3N2O3S/c15-14(16,17)10-1-2-11(18-7-10)23-8-12(20)19-5-3-9(4-6-19)13(21)22/h1-2,7,9H,3-6,8H2,(H,21,22)