propan-2-yl 4-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: propan-2-yl 4-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: isopropyl 4-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]thio]-3-oxobutanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]thio]-3-keto-butyric acid isopropyl ester Formula: C20H17F3N2O3S MolecularWeight: 422.42079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C(F)(F)F)C#N

Isomeric SMILES

CC(C)OC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C(F)(F)F)C#N

InChI

InChI=1S/C20H17F3N2O3S/c1-12(2)28-18(27)8-14(26)11-29-19-15(10-24)16(20(21,22)23)9-17(25-19)13-6-4-3-5-7-13/h3-7,9,12H,8,11H2,1-2H3