1-[2-[3-cyano-6-ethyl-5-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[3-cyano-6-ethyl-5-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[3-cyano-6-ethyl-5-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[3-cyano-6-ethyl-5-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[3-cyano-6-ethyl-5-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[3-cyano-6-ethyl-5-methyl-4-(trifluoromethyl)-2-pyridyl]thio]acetyl]proline Formula: C17H18F3N3O3S MolecularWeight: 401.40333

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=N1)SCC(=O)N2CCCC2C(=O)O)C#N)C(F)(F)F)C

Isomeric SMILES

CCC1=C(C(=C(C(=N1)SCC(=O)N2CCCC2C(=O)O)C#N)C(F)(F)F)C

InChI

InChI=1S/C17H18F3N3O3S/c1-3-11-9(2)14(17(18,19)20)10(7-21)15(22-11)27-8-13(24)23-6-4-5-12(23)16(25)26/h12H,3-6,8H2,1-2H3,(H,25,26)