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

Systemtic Name: 4-[(6S)-3-(2,5-dimethylphenyl)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Openeye Name: 4-[(6S)-3-(2,5-dimethylphenyl)-5-methoxycarbonyl-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate CAS Name: 4-[(6S)-3-(2,5-dimethylphenyl)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate IUPAC Name: 4-[(6S)-3-(2,5-dimethylphenyl)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate Traditional Name: 4-[(6S)-5-carbomethoxy-3-(2,5-dimethylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Formula: C21H20N3O5S- MolecularWeight: 426.4656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=C(C(NC2=S)C3=CC(=C(C=C3)[O-])[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=C([C@@H](NC2=S)C3=CC(=C(C=C3)[O-])[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C21H21N3O5S/c1-11-5-6-12(2)15(9-11)23-13(3)18(20(26)29-4)19(22-21(23)30)14-7-8-17(25)16(10-14)24(27)28/h5-10,19,25H,1-4H3,(H,22,30)/p-1/t19-/m0/s1