2-[4-(4-ethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-(4-ethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-(4-ethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-(4-ethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-(4-ethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-p-phenetyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetic acid Formula: C15H13F3N2O3S MolecularWeight: 358.33553

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)O)C(F)(F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)O)C(F)(F)F

InChI

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