2-methylsulfanylethyl (5S,6R)-4-methylidene-2-oxidanylidene-6-[4-(trifluoromethyloxy)phenyl]-1,3-diazinane-5-carboxylate

Systemtic Name: 2-methylsulfanylethyl (5S,6R)-4-methylidene-2-oxidanylidene-6-[4-(trifluoromethyloxy)phenyl]-1,3-diazinane-5-carboxylate Openeye Name: 2-methylsulfanylethyl (5S,6R)-4-methylene-2-oxo-6-[4-(trifluoromethoxy)phenyl]hexahydropyrimidine-5-carboxylate CAS Name: (5S,6R)-4-methylene-2-oxo-6-[4-(trifluoromethoxy)phenyl]-1,3-diazinane-5-carboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl (5S,6R)-4-methylidene-2-oxo-6-[4-(trifluoromethoxy)phenyl]-1,3-diazinane-5-carboxylate Traditional Name: (5S,6R)-2-keto-4-methylene-6-[4-(trifluoromethoxy)phenyl]hexahydropyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester Formula: C16H17F3N2O4S MolecularWeight: 390.37739

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Descriptors Computed from Structure

Canonical SMILES:

CSCCOC(=O)C1C(NC(=O)NC1=C)C2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CSCCOC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C16H17F3N2O4S/c1-9-12(14(22)24-7-8-26-2)13(21-15(23)20-9)10-3-5-11(6-4-10)25-16(17,18)19/h3-6,12-13H,1,7-8H2,2H3,(H2,20,21,23)/t12-,13+/m1/s1