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

Systemtic Name: ethyl (4S)-6-[(4-chloranyl-2-fluoranyl-phenyl)carbonyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(4-chloro-2-fluoro-benzoyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(4-chloro-2-fluorophenyl)-oxomethoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(4-chloro-2-fluorobenzoyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(4-chloro-2-fluoro-benzoyl)oxymethyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H18ClFN2O5 MolecularWeight: 384.786623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClFN2O5/c1-3-12-14(16(23)25-4-2)13(21-17(24)20-12)8-26-15(22)10-6-5-9(18)7-11(10)19/h5-7,12H,3-4,8H2,1-2H3,(H2,20,21,24)/t12-/m0/s1