(4R)-4-oxidanyl-2-sulfanylidene-4-(trifluoromethyl)-1,3-dihydropyrimidine-5-carboxylate

Systemtic Name: (4R)-4-oxidanyl-2-sulfanylidene-4-(trifluoromethyl)-1,3-dihydropyrimidine-5-carboxylate Openeye Name: (4R)-4-hydroxy-2-thioxo-4-(trifluoromethyl)-1,3-dihydropyrimidine-5-carboxylate CAS Name: (4R)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-dihydropyrimidine-5-carboxylate IUPAC Name: (4R)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-dihydropyrimidine-5-carboxylate Traditional Name: (4R)-4-hydroxy-2-thioxo-4-(trifluoromethyl)-1,3-dihydropyrimidine-5-carboxylate Formula: C6H4F3N2O3S- MolecularWeight: 241.16777

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(NC(=S)N1)(C(F)(F)F)O)C(=O)[O-]

Isomeric SMILES

C1=C([C@](NC(=S)N1)(C(F)(F)F)O)C(=O)[O-]

InChI

InChI=1S/C6H5F3N2O3S/c7-6(8,9)5(14)2(3(12)13)1-10-4(15)11-5/h1,14H,(H,12,13)(H2,10,11,15)/p-1/t5-/m1/s1