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

Systemtic Name: 4-[(6R)-5-methoxycarbonyl-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Openeye Name: 4-[(6R)-5-methoxycarbonyl-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate CAS Name: 4-[(6R)-5-methoxycarbonyl-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate IUPAC Name: 4-[(6R)-5-methoxycarbonyl-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate Traditional Name: 4-[(6R)-5-carbomethoxy-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Formula: C19H16N3O5S- MolecularWeight: 398.41244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5S/c1-11-16(18(24)27-2)17(12-8-9-15(23)14(10-12)22(25)26)20-19(28)21(11)13-6-4-3-5-7-13/h3-10,17,23H,1-2H3,(H,20,28)/p-1/t17-/m1/s1