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

Systemtic Name: 1-[2-[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-pyridin-2-yl]sulfanylethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[3-cyano-4-(4-fluorophenyl)-6-(2-thienyl)-2-pyridyl]sulfanyl]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]thio]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylacetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[3-cyano-4-(4-fluorophenyl)-6-(2-thienyl)-2-pyridyl]thio]acetyl]proline Formula: C23H18FN3O3S2 MolecularWeight: 467.535723

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)F)C#N)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)F)C#N)C(=O)O

InChI

InChI=1S/C23H18FN3O3S2/c24-15-7-5-14(6-8-15)16-11-18(20-4-2-10-31-20)26-22(17(16)12-25)32-13-21(28)27-9-1-3-19(27)23(29)30/h2,4-8,10-11,19H,1,3,9,13H2,(H,29,30)