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

Systemtic Name: ethyl (4S)-6-[[2-azanyl-4-(trifluoromethyl)phenyl]carbonyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[2-amino-4-(trifluoromethyl)benzoyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[[2-amino-4-(trifluoromethyl)phenyl]-oxomethoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[2-amino-4-(trifluoromethyl)benzoyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[2-amino-4-(trifluoromethyl)benzoyl]oxymethyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H20F3N3O5 MolecularWeight: 415.36371

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20F3N3O5/c1-3-12-14(16(26)28-4-2)13(24-17(27)23-12)8-29-15(25)10-6-5-9(7-11(10)22)18(19,20)21/h5-7,12H,3-4,8,22H2,1-2H3,(H2,23,24,27)/t12-/m0/s1