2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: 2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(3-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetate Formula: C14H10F3N2O3S- MolecularWeight: 343.30101

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=NC(=N2)SCC(=O)[O-])C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=NC(=N2)SCC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C14H11F3N2O3S/c1-22-9-4-2-3-8(5-9)10-6-11(14(15,16)17)19-13(18-10)23-7-12(20)21/h2-6H,7H2,1H3,(H,20,21)/p-1