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

Systemtic Name: 4-[(6S)-5-ethoxycarbonyl-3-(3-fluoranyl-4-methyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Openeye Name: 4-[(6S)-5-ethoxycarbonyl-3-(3-fluoro-4-methyl-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate CAS Name: 4-[(6S)-5-ethoxycarbonyl-3-(3-fluoro-4-methylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate IUPAC Name: 4-[(6S)-5-ethoxycarbonyl-3-(3-fluoro-4-methylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate Traditional Name: 4-[(6S)-5-carbethoxy-3-(3-fluoro-4-methyl-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Formula: C21H19FN3O5S- MolecularWeight: 444.456063

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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(=C(C=C3)C)F)C

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3O5S/c1-4-30-20(27)18-12(3)24(14-7-5-11(2)15(22)10-14)21(31)23-19(18)13-6-8-17(26)16(9-13)25(28)29/h5-10,19,26H,4H2,1-3H3,(H,23,31)/p-1/t19-/m0/s1