4-[(6S)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate

Systemtic Name: 4-[(6S)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Openeye Name: 4-[(6S)-5-methoxycarbonyl-4-methyl-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate CAS Name: 4-[(6S)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate IUPAC Name: 4-[(6S)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate Traditional Name: 4-[(6S)-5-carbomethoxy-4-methyl-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Formula: C20H15F3N3O5S- MolecularWeight: 466.41041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=CC(=C2)C(F)(F)F)C3=CC(=C(C=C3)[O-])[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1C2=CC=CC(=C2)C(F)(F)F)C3=CC(=C(C=C3)[O-])[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H16F3N3O5S/c1-10-16(18(28)31-2)17(11-6-7-15(27)14(8-11)26(29)30)24-19(32)25(10)13-5-3-4-12(9-13)20(21,22)23/h3-9,17,27H,1-2H3,(H,24,32)/p-1/t17-/m0/s1