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

Systemtic Name: 4-[(6S)-3-(2,5-dimethylphenyl)-5-(2-methoxyethoxycarbonyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Openeye Name: 4-[(6S)-3-(2,5-dimethylphenyl)-5-(2-methoxyethoxycarbonyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate CAS Name: 4-[(6S)-3-(2,5-dimethylphenyl)-5-[2-methoxyethoxy(oxo)methyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate IUPAC Name: 4-[(6S)-3-(2,5-dimethylphenyl)-5-(2-methoxyethoxycarbonyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate Traditional Name: 4-[(6S)-3-(2,5-dimethylphenyl)-5-(2-methoxyethoxycarbonyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Formula: C23H24N3O6S- MolecularWeight: 470.51816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O6S/c1-13-5-6-14(2)17(11-13)25-15(3)20(22(28)32-10-9-31-4)21(24-23(25)33)16-7-8-19(27)18(12-16)26(29)30/h5-8,11-12,21,27H,9-10H2,1-4H3,(H,24,33)/p-1/t21-/m0/s1