methyl 3-(2-fluorophenyl)-2,2-dimethyl-3-(4-methylsulfanylpyrimidin-5-yl)propanoate

Systemtic Name: methyl 3-(2-fluorophenyl)-2,2-dimethyl-3-(4-methylsulfanylpyrimidin-5-yl)propanoate Openeye Name: methyl 3-(2-fluorophenyl)-2,2-dimethyl-3-(4-methylsulfanylpyrimidin-5-yl)propanoate CAS Name: 3-(2-fluorophenyl)-2,2-dimethyl-3-[4-(methylthio)-5-pyrimidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(2-fluorophenyl)-2,2-dimethyl-3-(4-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-(2-fluorophenyl)-2,2-dimethyl-3-[4-(methylthio)pyrimidin-5-yl]propionic acid methyl ester Formula: C17H19FN2O2S MolecularWeight: 334.408363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C1=CC=CC=C1F)C2=CN=CN=C2SC)C(=O)OC

Isomeric SMILES

CC(C)(C(C1=CC=CC=C1F)C2=CN=CN=C2SC)C(=O)OC

InChI

InChI=1S/C17H19FN2O2S/c1-17(2,16(21)22-3)14(11-7-5-6-8-13(11)18)12-9-19-10-20-15(12)23-4/h5-10,14H,1-4H3