2-[3-cyano-6-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-[3-cyano-6-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-[[3-cyano-6-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-2-phenyl-acetic acid CAS Name: 2-[[3-cyano-6-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-2-phenylacetic acid IUPAC Name: 2-[3-cyano-6-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenylacetic acid Traditional Name: 2-[[3-cyano-6-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]thio]-2-phenyl-acetic acid Formula: C23H17F3N2O4S MolecularWeight: 474.45229

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SC(C3=CC=CC=C3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SC(C3=CC=CC=C3)C(=O)O)OC

InChI

InChI=1S/C23H17F3N2O4S/c1-31-14-8-9-15(19(10-14)32-2)18-11-17(23(24,25)26)16(12-27)21(28-18)33-20(22(29)30)13-6-4-3-5-7-13/h3-11,20H,1-2H3,(H,29,30)