ethyl 2-fluoranyl-2-[5-methyl-4-oxidanylidene-1-(phenylcarbonyl)pyrimidin-2-yl]sulfanyl-ethanoate

Systemtic Name: ethyl 2-fluoranyl-2-[5-methyl-4-oxidanylidene-1-(phenylcarbonyl)pyrimidin-2-yl]sulfanyl-ethanoate Openeye Name: ethyl 2-(1-benzoyl-5-methyl-4-oxo-pyrimidin-2-yl)sulfanyl-2-fluoro-acetate CAS Name: 2-[(1-benzoyl-5-methyl-4-oxo-2-pyrimidinyl)thio]-2-fluoroacetic acid ethyl ester IUPAC Name: ethyl 2-(1-benzoyl-5-methyl-4-oxopyrimidin-2-yl)sulfanyl-2-fluoroacetate Traditional Name: 2-[(1-benzoyl-4-keto-5-methyl-pyrimidin-2-yl)thio]-2-fluoro-acetic acid ethyl ester Formula: C16H15FN2O4S MolecularWeight: 350.364703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(F)SC1=NC(=O)C(=CN1C(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C(F)SC1=NC(=O)C(=CN1C(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C16H15FN2O4S/c1-3-23-15(22)12(17)24-16-18-13(20)10(2)9-19(16)14(21)11-7-5-4-6-8-11/h4-9,12H,3H2,1-2H3