3-(2-methylsulfanylpyrimidin-4-yl)-4-oxidanylidene-4-[3-(trifluoromethyl)phenyl]butanoic acid

Systemtic Name: 3-(2-methylsulfanylpyrimidin-4-yl)-4-oxidanylidene-4-[3-(trifluoromethyl)phenyl]butanoic acid Openeye Name: 3-(2-methylsulfanylpyrimidin-4-yl)-4-oxo-4-[3-(trifluoromethyl)phenyl]butanoic acid CAS Name: 3-[2-(methylthio)-4-pyrimidinyl]-4-oxo-4-[3-(trifluoromethyl)phenyl]butanoic acid IUPAC Name: 3-(2-methylsulfanylpyrimidin-4-yl)-4-oxo-4-[3-(trifluoromethyl)phenyl]butanoic acid Traditional Name: 4-keto-3-[2-(methylthio)pyrimidin-4-yl]-4-[3-(trifluoromethyl)phenyl]butyric acid Formula: C16H13F3N2O3S MolecularWeight: 370.34623

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)C(CC(=O)O)C(=O)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CSC1=NC=CC(=N1)C(CC(=O)O)C(=O)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C16H13F3N2O3S/c1-25-15-20-6-5-12(21-15)11(8-13(22)23)14(24)9-3-2-4-10(7-9)16(17,18)19/h2-7,11H,8H2,1H3,(H,22,23)