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

Systemtic Name: 3-(4-fluorophenyl)-2-(2-methylsulfanylpyrimidin-4-yl)-3-oxidanylidene-propanoic acid Openeye Name: 3-(4-fluorophenyl)-2-(2-methylsulfanylpyrimidin-4-yl)-3-oxo-propanoic acid CAS Name: 3-(4-fluorophenyl)-2-[2-(methylthio)-4-pyrimidinyl]-3-oxopropanoic acid IUPAC Name: 3-(4-fluorophenyl)-2-(2-methylsulfanylpyrimidin-4-yl)-3-oxopropanoic acid Traditional Name: 3-(4-fluorophenyl)-3-keto-2-[2-(methylthio)pyrimidin-4-yl]propionic acid Formula: C14H11FN2O3S MolecularWeight: 306.312143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11FN2O3S/c1-21-14-16-7-6-10(17-14)11(13(19)20)12(18)8-2-4-9(15)5-3-8/h2-7,11H,1H3,(H,19,20)