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

Systemtic Name: methyl 2-[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]thio]acetic acid methyl ester Formula: C18H15F3N2O4S MolecularWeight: 412.38291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15F3N2O4S/c1-25-14-5-4-10(6-15(14)26-2)13-7-12(18(19,20)21)11(8-22)17(23-13)28-9-16(24)27-3/h4-7H,9H2,1-3H3