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

Systemtic Name: 4-[(6S)-3-(3-bromophenyl)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Openeye Name: 4-[(6S)-3-(3-bromophenyl)-5-methoxycarbonyl-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate CAS Name: 4-[(6S)-3-(3-bromophenyl)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate IUPAC Name: 4-[(6S)-3-(3-bromophenyl)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate Traditional Name: 4-[(6S)-3-(3-bromophenyl)-5-carbomethoxy-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Formula: C19H15BrN3O5S- MolecularWeight: 477.3085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN3O5S/c1-10-16(18(25)28-2)17(11-6-7-15(24)14(8-11)23(26)27)21-19(29)22(10)13-5-3-4-12(20)9-13/h3-9,17,24H,1-2H3,(H,21,29)/p-1/t17-/m0/s1