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

Systemtic Name: 4-[(6S)-5-ethoxycarbonyl-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Openeye Name: 4-[(6S)-5-ethoxycarbonyl-4-methyl-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate CAS Name: 4-[(6S)-5-ethoxycarbonyl-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate IUPAC Name: 4-[(6S)-5-ethoxycarbonyl-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate Traditional Name: 4-[(6S)-5-carbethoxy-4-methyl-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Formula: C21H20N3O5S- MolecularWeight: 426.4656

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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)C)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)C)C

InChI

InChI=1S/C21H21N3O5S/c1-4-29-20(26)18-13(3)23(15-7-5-6-12(2)10-15)21(30)22-19(18)14-8-9-17(25)16(11-14)24(27)28/h5-11,19,25H,4H2,1-3H3,(H,22,30)/p-1/t19-/m0/s1