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

Systemtic Name: 2-methylsulfanylethyl (5S,6R)-4-methylidene-2-oxidanylidene-6-[3-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxylate Openeye Name: 2-methylsulfanylethyl (5S,6R)-4-methylene-2-oxo-6-[3-(trifluoromethyl)phenyl]hexahydropyrimidine-5-carboxylate CAS Name: (5S,6R)-4-methylene-2-oxo-6-[3-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl (5S,6R)-4-methylidene-2-oxo-6-[3-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxylate Traditional Name: (5S,6R)-2-keto-4-methylene-6-[3-(trifluoromethyl)phenyl]hexahydropyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester Formula: C16H17F3N2O3S MolecularWeight: 374.37799

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17F3N2O3S/c1-9-12(14(22)24-6-7-25-2)13(21-15(23)20-9)10-4-3-5-11(8-10)16(17,18)19/h3-5,8,12-13H,1,6-7H2,2H3,(H2,20,21,23)/t12-,13+/m1/s1