ethyl 3-(4-fluorophenyl)-2-(2-methylsulfanylpyrimidin-4-yl)-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-(4-fluorophenyl)-2-(2-methylsulfanylpyrimidin-4-yl)-3-oxidanylidene-propanoate Openeye Name: ethyl 3-(4-fluorophenyl)-2-(2-methylsulfanylpyrimidin-4-yl)-3-oxo-propanoate CAS Name: 3-(4-fluorophenyl)-2-[2-(methylthio)-4-pyrimidinyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(4-fluorophenyl)-2-(2-methylsulfanylpyrimidin-4-yl)-3-oxopropanoate Traditional Name: 3-(4-fluorophenyl)-3-keto-2-[2-(methylthio)pyrimidin-4-yl]propionic acid ethyl ester Formula: C16H15FN2O3S MolecularWeight: 334.365303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=NC(=NC=C1)SC)C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C(C1=NC(=NC=C1)SC)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H15FN2O3S/c1-3-22-15(21)13(12-8-9-18-16(19-12)23-2)14(20)10-4-6-11(17)7-5-10/h4-9,13H,3H2,1-2H3