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

Systemtic Name: ethyl 4-[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-[[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]butanoate CAS Name: 4-[[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylbutanoate Traditional Name: 4-[[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]butyric acid ethyl ester Formula: C20H17F3N2O4S MolecularWeight: 438.42019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=C(C(=CC(=N1)C2=CC3=C(C=C2)OCO3)C(F)(F)F)C#N

Isomeric SMILES

CCOC(=O)CCCSC1=C(C(=CC(=N1)C2=CC3=C(C=C2)OCO3)C(F)(F)F)C#N

InChI

InChI=1S/C20H17F3N2O4S/c1-2-27-18(26)4-3-7-30-19-13(10-24)14(20(21,22)23)9-15(25-19)12-5-6-16-17(8-12)29-11-28-16/h5-6,8-9H,2-4,7,11H2,1H3