(2R)-1-[2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2R)-1-[2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoyl]pyrrolidine-2-carboxylate Openeye Name: (2R)-1-[2-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]pyrrolidine-2-carboxylate CAS Name: (2R)-1-[2-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2R)-1-[2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]pyrrolidine-2-carboxylate Traditional Name: (2R)-1-[2-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]acetyl]pyrrolidine-2-carboxylate Formula: C18H19F3N3O3S- MolecularWeight: 414.42197

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)N2CCCC2C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)N2CCC[C@@H]2C(=O)[O-]

InChI

InChI=1S/C18H20F3N3O3S/c1-17(2,3)13-7-11(18(19,20)21)10(8-22)15(23-13)28-9-14(25)24-6-4-5-12(24)16(26)27/h7,12H,4-6,9H2,1-3H3,(H,26,27)/p-1/t12-/m1/s1