ethyl 4-[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]-3-keto-butyric acid ethyl ester Formula: C20H15F3N2O5S MolecularWeight: 452.40371

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC3=C(C=C2)OCO3)C(F)(F)F)C#N

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC3=C(C=C2)OCO3)C(F)(F)F)C#N

InChI

InChI=1S/C20H15F3N2O5S/c1-2-28-18(27)6-12(26)9-31-19-13(8-24)14(20(21,22)23)7-15(25-19)11-3-4-16-17(5-11)30-10-29-16/h3-5,7H,2,6,9-10H2,1H3