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

Systemtic Name: 1-[2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]thio]acetyl]isonipecotic acid Formula: C19H16F3N3O3S2 MolecularWeight: 455.47385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N

InChI

InChI=1S/C19H16F3N3O3S2/c20-19(21,22)13-8-14(15-2-1-7-29-15)24-17(12(13)9-23)30-10-16(26)25-5-3-11(4-6-25)18(27)28/h1-2,7-8,11H,3-6,10H2,(H,27,28)