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

Systemtic Name: ethyl 4-oxidanyl-6-(4-phenoxyphenyl)-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate Openeye Name: ethyl 4-hydroxy-6-(4-phenoxyphenyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate CAS Name: 4-hydroxy-6-(4-phenoxyphenyl)-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-6-(4-phenoxyphenyl)-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate Traditional Name: 4-hydroxy-6-(4-phenoxyphenyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H19F3N2O4S MolecularWeight: 440.43607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H19F3N2O4S/c1-2-28-17(26)15-16(24-18(30)25-19(15,27)20(21,22)23)12-8-10-14(11-9-12)29-13-6-4-3-5-7-13/h3-11,15-16,27H,2H2,1H3,(H2,24,25,30)