ethyl (4S)-2-morpholin-4-yl-6-pyridin-3-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate

Systemtic Name: ethyl (4S)-2-morpholin-4-yl-6-pyridin-3-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate Openeye Name: ethyl (4S)-2-morpholino-6-(3-pyridyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate CAS Name: (4S)-2-(4-morpholinyl)-6-(3-pyridinyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-morpholin-4-yl-6-pyridin-3-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate Traditional Name: (4S)-2-morpholino-6-(3-pyridyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylic acid ethyl ester Formula: C16H17F3N4O4 MolecularWeight: 386.32579

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(N=C(OC(=N1)N2CCOCC2)C3=CN=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)[C@@]1(N=C(OC(=N1)N2CCOCC2)C3=CN=CC=C3)C(F)(F)F

InChI

InChI=1S/C16H17F3N4O4/c1-2-26-13(24)15(16(17,18)19)21-12(11-4-3-5-20-10-11)27-14(22-15)23-6-8-25-9-7-23/h3-5,10H,2,6-9H2,1H3/t15-/m0/s1