methyl 2-[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]thio]acetic acid methyl ester Formula: C17H13F3N2O3S MolecularWeight: 382.35693

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)OC

InChI

InChI=1S/C17H13F3N2O3S/c1-24-11-5-3-10(4-6-11)14-7-13(17(18,19)20)12(8-21)16(22-14)26-9-15(23)25-2/h3-7H,9H2,1-2H3