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

Systemtic Name: 4-[(6S)-3-(3-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Openeye Name: 4-[(6S)-3-(3-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate CAS Name: 4-[(6S)-3-(3-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate IUPAC Name: 4-[(6S)-3-(3-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate Traditional Name: 4-[(6S)-3-(3-bromophenyl)-5-carbethoxy-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Formula: C20H17BrN3O5S- MolecularWeight: 491.33508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C3=CC(=CC=C3)Br)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@H]1C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C3=CC(=CC=C3)Br)C

InChI

InChI=1S/C20H18BrN3O5S/c1-3-29-19(26)17-11(2)23(14-6-4-5-13(21)10-14)20(30)22-18(17)12-7-8-16(25)15(9-12)24(27)28/h4-10,18,25H,3H2,1-2H3,(H,22,30)/p-1/t18-/m0/s1