ethyl (4S,5S,6S)-4-oxidanyl-2-oxidanylidene-6-phenyl-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4S,5S,6S)-4-oxidanyl-2-oxidanylidene-6-phenyl-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5S,6S)-4-hydroxy-2-oxo-6-phenyl-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate CAS Name: (4S,5S,6S)-4-hydroxy-2-oxo-6-phenyl-4-(trifluoromethyl)-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S,6S)-4-hydroxy-2-oxo-6-phenyl-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate Traditional Name: (4S,5S,6S)-4-hydroxy-2-keto-6-phenyl-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C14H15F3N2O4 MolecularWeight: 332.27511

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](NC(=O)N[C@]1(C(F)(F)F)O)C2=CC=CC=C2

InChI

InChI=1S/C14H15F3N2O4/c1-2-23-11(20)9-10(8-6-4-3-5-7-8)18-12(21)19-13(9,22)14(15,16)17/h3-7,9-10,22H,2H2,1H3,(H2,18,19,21)/t9-,10-,13+/m1/s1