2-[4-[bis(fluoranyl)methyl]-6-(3-methoxyphenyl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: 2-[4-[bis(fluoranyl)methyl]-6-(3-methoxyphenyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[4-(difluoromethyl)-6-(3-methoxyphenyl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(difluoromethyl)-6-(3-methoxyphenyl)-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[4-(difluoromethyl)-6-(3-methoxyphenyl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(difluoromethyl)-6-(3-methoxyphenyl)pyrimidin-2-yl]thio]acetate Formula: C14H11F2N2O3S- MolecularWeight: 325.310546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12F2N2O3S/c1-21-9-4-2-3-8(5-9)10-6-11(13(15)16)18-14(17-10)22-7-12(19)20/h2-6,13H,7H2,1H3,(H,19,20)/p-1