ethyl 4-[3-cyano-6-(5-methylfuran-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[3-cyano-6-(5-methylfuran-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-[[3-cyano-6-(5-methyl-2-furyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]butanoate CAS Name: 4-[[3-cyano-6-(5-methyl-2-furanyl)-4-(trifluoromethyl)-2-pyridinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-cyano-6-(5-methylfuran-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylbutanoate Traditional Name: 4-[[3-cyano-6-(5-methyl-2-furyl)-4-(trifluoromethyl)-2-pyridyl]thio]butyric acid ethyl ester Formula: C18H17F3N2O3S MolecularWeight: 398.39939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=C(C(=CC(=N1)C2=CC=C(O2)C)C(F)(F)F)C#N

Isomeric SMILES

CCOC(=O)CCCSC1=C(C(=CC(=N1)C2=CC=C(O2)C)C(F)(F)F)C#N

InChI

InChI=1S/C18H17F3N2O3S/c1-3-25-16(24)5-4-8-27-17-12(10-22)13(18(19,20)21)9-14(23-17)15-7-6-11(2)26-15/h6-7,9H,3-5,8H2,1-2H3