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

Systemtic Name: ethyl 3-[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate Openeye Name: ethyl 3-[[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]propanoate CAS Name: 3-[[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate Traditional Name: 3-[[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]propionic acid ethyl ester Formula: C19H15F3N2O4S MolecularWeight: 424.39361

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=C(C(=CC(=N1)C2=CC3=C(C=C2)OCO3)C(F)(F)F)C#N

Isomeric SMILES

CCOC(=O)CCSC1=C(C(=CC(=N1)C2=CC3=C(C=C2)OCO3)C(F)(F)F)C#N

InChI

InChI=1S/C19H15F3N2O4S/c1-2-26-17(25)5-6-29-18-12(9-23)13(19(20,21)22)8-14(24-18)11-3-4-15-16(7-11)28-10-27-15/h3-4,7-8H,2,5-6,10H2,1H3