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

Systemtic Name: 4-[(6S)-5-methoxycarbonyl-3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Openeye Name: 4-[(6S)-5-methoxycarbonyl-3-(4-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate CAS Name: 4-[(6S)-5-methoxycarbonyl-3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate IUPAC Name: 4-[(6S)-5-methoxycarbonyl-3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate Traditional Name: 4-[(6S)-5-carbomethoxy-3-(4-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Formula: C20H18N3O6S- MolecularWeight: 428.43842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O6S/c1-11-17(19(25)29-3)18(12-4-9-16(24)15(10-12)23(26)27)21-20(30)22(11)13-5-7-14(28-2)8-6-13/h4-10,18,24H,1-3H3,(H,21,30)/p-1/t18-/m0/s1