methyl 2-[5-methoxy-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: methyl 2-[5-methoxy-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]sulfanylethanoate Openeye Name: methyl 2-[5-methoxy-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[5-methoxy-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[5-methoxy-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[5-methoxy-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]thio]acetic acid methyl ester Formula: C15H13F3N2O3S MolecularWeight: 358.33553

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(N=C1SCC(=O)OC)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

COC1=CN=C(N=C1SCC(=O)OC)C2=CC(=CC=C2)C(F)(F)F

InChI

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