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

Systemtic Name: ethyl (4S,5S,6R)-4-oxidanyl-6-phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5S,6R)-4-hydroxy-6-phenyl-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate CAS Name: (4S,5S,6R)-4-hydroxy-6-phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S,6R)-4-hydroxy-6-phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate Traditional Name: (4S,5S,6R)-4-hydroxy-6-phenyl-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C14H15F3N2O3S MolecularWeight: 348.34071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15F3N2O3S/c1-2-22-11(20)9-10(8-6-4-3-5-7-8)18-12(23)19-13(9,21)14(15,16)17/h3-7,9-10,21H,2H2,1H3,(H2,18,19,23)/t9-,10+,13+/m1/s1