methyl 3-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoate CAS Name: 3-[[4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoate Traditional Name: 3-[[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionic acid methyl ester Formula: C15H12F4N2O2S MolecularWeight: 360.326593

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NC(=CC(=N1)C(F)(F)F)C2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)CCSC1=NC(=CC(=N1)C(F)(F)F)C2=CC=C(C=C2)F

InChI

InChI=1S/C15H12F4N2O2S/c1-23-13(22)6-7-24-14-20-11(8-12(21-14)15(17,18)19)9-2-4-10(16)5-3-9/h2-5,8H,6-7H2,1H3