2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-3-oxidanyl-propanoic acid

Systemtic Name: 2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-3-oxidanyl-propanoic acid Openeye Name: 2-(4-fluorophenyl)-3-hydroxy-3-(2-methylsulfanylpyrimidin-4-yl)propanoic acid CAS Name: 2-(4-fluorophenyl)-3-hydroxy-3-[2-(methylthio)-4-pyrimidinyl]propanoic acid IUPAC Name: 2-(4-fluorophenyl)-3-hydroxy-3-(2-methylsulfanylpyrimidin-4-yl)propanoic acid Traditional Name: 2-(4-fluorophenyl)-3-hydroxy-3-[2-(methylthio)pyrimidin-4-yl]propionic acid Formula: C14H13FN2O3S MolecularWeight: 308.328023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13FN2O3S/c1-21-14-16-7-6-10(17-14)12(18)11(13(19)20)8-2-4-9(15)5-3-8/h2-7,11-12,18H,1H3,(H,19,20)