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

Systemtic Name: 2-methoxyethyl (5S,6R)-4-methylidene-2-sulfanylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxylate Openeye Name: 2-methoxyethyl (5S,6R)-4-methylene-2-thioxo-6-[2-(trifluoromethyl)phenyl]hexahydropyrimidine-5-carboxylate CAS Name: (5S,6R)-4-methylene-2-sulfanylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (5S,6R)-4-methylidene-2-sulfanylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxylate Traditional Name: (5S,6R)-4-methylene-2-thioxo-6-[2-(trifluoromethyl)phenyl]hexahydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C16H17F3N2O3S MolecularWeight: 374.37799

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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