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

Systemtic Name: methyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]acetic acid methyl ester Formula: C17H11F3N2O4S MolecularWeight: 396.34045

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11F3N2O4S/c1-24-15(23)7-27-16-10(6-21)11(17(18,19)20)5-12(22-16)9-2-3-13-14(4-9)26-8-25-13/h2-5H,7-8H2,1H3