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

Systemtic Name: methyl 2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetic acid methyl ester Formula: C15H13F3N2O3S MolecularWeight: 358.33553

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)OC)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)OC)C(F)(F)F

InChI

InChI=1S/C15H13F3N2O3S/c1-22-10-5-3-9(4-6-10)11-7-12(15(16,17)18)20-14(19-11)24-8-13(21)23-2/h3-7H,8H2,1-2H3