(phenylmethyl) 2-[3-cyano-6-(furan-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[3-cyano-6-(furan-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate Openeye Name: benzyl 2-[[3-cyano-6-(2-furyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(2-furanyl)-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-cyano-6-(furan-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(2-furyl)-4-(trifluoromethyl)-2-pyridyl]thio]acetic acid benzyl ester Formula: C20H13F3N2O3S MolecularWeight: 418.38903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=C(C(=CC(=N2)C3=CC=CO3)C(F)(F)F)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=C(C(=CC(=N2)C3=CC=CO3)C(F)(F)F)C#N

InChI

InChI=1S/C20H13F3N2O3S/c21-20(22,23)15-9-16(17-7-4-8-27-17)25-19(14(15)10-24)29-12-18(26)28-11-13-5-2-1-3-6-13/h1-9H,11-12H2