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

Systemtic Name: 4-[(6S)-3-(3-chloranyl-4-fluoranyl-phenyl)-5-ethoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Openeye Name: 4-[(6S)-3-(3-chloro-4-fluoro-phenyl)-5-ethoxycarbonyl-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate CAS Name: 4-[(6S)-3-(3-chloro-4-fluorophenyl)-5-ethoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate IUPAC Name: 4-[(6S)-3-(3-chloro-4-fluorophenyl)-5-ethoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate Traditional Name: 4-[(6S)-5-carbethoxy-3-(3-chloro-4-fluoro-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Formula: C20H16ClFN3O5S- MolecularWeight: 464.874543

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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)F)Cl)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)F)Cl)C

InChI

InChI=1S/C20H17ClFN3O5S/c1-3-30-19(27)17-10(2)24(12-5-6-14(22)13(21)9-12)20(31)23-18(17)11-4-7-16(26)15(8-11)25(28)29/h4-9,18,26H,3H2,1-2H3,(H,23,31)/p-1/t18-/m0/s1