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

Systemtic Name: 4-[(6S)-3-(3-fluoranyl-4-methyl-phenyl)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Openeye Name: 4-[(6S)-3-(3-fluoro-4-methyl-phenyl)-5-methoxycarbonyl-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate CAS Name: 4-[(6S)-3-(3-fluoro-4-methylphenyl)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate IUPAC Name: 4-[(6S)-3-(3-fluoro-4-methylphenyl)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate Traditional Name: 4-[(6S)-5-carbomethoxy-3-(3-fluoro-4-methyl-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Formula: C20H17FN3O5S- MolecularWeight: 430.429483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN3O5S/c1-10-4-6-13(9-14(10)21)23-11(2)17(19(26)29-3)18(22-20(23)30)12-5-7-16(25)15(8-12)24(27)28/h4-9,18,25H,1-3H3,(H,22,30)/p-1/t18-/m0/s1