tert-butyl (5R,6S)-4-methylidene-2-sulfanylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxylate

Systemtic Name: tert-butyl (5R,6S)-4-methylidene-2-sulfanylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxylate Openeye Name: tert-butyl (5R,6S)-4-methylene-2-thioxo-6-[2-(trifluoromethyl)phenyl]hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-2-sulfanylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (5R,6S)-4-methylidene-2-sulfanylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-4-methylene-2-thioxo-6-[2-(trifluoromethyl)phenyl]hexahydropyrimidine-5-carboxylic acid tert-butyl ester Formula: C17H19F3N2O2S MolecularWeight: 372.40517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(NC(=S)NC1=C)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1[C@H](NC(=S)NC1=C)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C17H19F3N2O2S/c1-9-12(14(23)24-16(2,3)4)13(22-15(25)21-9)10-7-5-6-8-11(10)17(18,19)20/h5-8,12-13H,1H2,2-4H3,(H2,21,22,25)/t12-,13+/m0/s1