ethyl (4S)-4-ethyl-6-[(3-fluoranyl-4-methyl-phenyl)carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-ethyl-6-[(3-fluoranyl-4-methyl-phenyl)carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-6-[(3-fluoro-4-methyl-benzoyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-6-[[(3-fluoro-4-methylphenyl)-oxomethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-6-[(3-fluoro-4-methylbenzoyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-6-[(3-fluoro-4-methyl-benzoyl)oxymethyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21FN2O5 MolecularWeight: 364.368143

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)C2=CC(=C(C=C2)C)F)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)C2=CC(=C(C=C2)C)F)C(=O)OCC

InChI

InChI=1S/C18H21FN2O5/c1-4-13-15(17(23)25-5-2)14(21-18(24)20-13)9-26-16(22)11-7-6-10(3)12(19)8-11/h6-8,13H,4-5,9H2,1-3H3,(H2,20,21,24)/t13-/m0/s1