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

Systemtic Name: ethyl (4R,5S,6S)-1,3-dimethyl-4-oxidanyl-6-phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4R,5S,6S)-4-hydroxy-1,3-dimethyl-6-phenyl-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S,6S)-4-hydroxy-1,3-dimethyl-6-phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5S,6S)-4-hydroxy-1,3-dimethyl-6-phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S,6S)-4-hydroxy-1,3-dimethyl-6-phenyl-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H19F3N2O3S MolecularWeight: 376.39387

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N(C(=S)N(C1(C(F)(F)F)O)C)C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H19F3N2O3S/c1-4-24-13(22)11-12(10-8-6-5-7-9-10)20(2)14(25)21(3)15(11,23)16(17,18)19/h5-9,11-12,23H,4H2,1-3H3/t11-,12-,15-/m1/s1