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

Systemtic Name: 4-[(6R)-5-methoxycarbonyl-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Openeye Name: 4-[(6R)-5-methoxycarbonyl-4-methyl-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate CAS Name: 4-[(6R)-5-methoxycarbonyl-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate IUPAC Name: 4-[(6R)-5-methoxycarbonyl-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate Traditional Name: 4-[(6R)-5-carbomethoxy-4-methyl-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Formula: C20H18N3O5S- MolecularWeight: 412.43902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S/c1-11-5-4-6-14(9-11)22-12(2)17(19(25)28-3)18(21-20(22)29)13-7-8-16(24)15(10-13)23(26)27/h4-10,18,24H,1-3H3,(H,21,29)/p-1/t18-/m1/s1