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

Systemtic Name: 4-[(6S)-5-ethoxycarbonyl-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Openeye Name: 4-[(6S)-5-ethoxycarbonyl-3-(3-ethoxypropyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate CAS Name: 4-[(6S)-5-ethoxycarbonyl-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate IUPAC Name: 4-[(6S)-5-ethoxycarbonyl-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate Traditional Name: 4-[(6S)-5-carbethoxy-3-(3-ethoxypropyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Formula: C19H24N3O6S- MolecularWeight: 422.47536

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=C(C(NC1=S)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)OCC)C

Isomeric SMILES

CCOCCCN1C(=C([C@@H](NC1=S)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)OCC)C

InChI

InChI=1S/C19H25N3O6S/c1-4-27-10-6-9-21-12(3)16(18(24)28-5-2)17(20-19(21)29)13-7-8-15(23)14(11-13)22(25)26/h7-8,11,17,23H,4-6,9-10H2,1-3H3,(H,20,29)/p-1/t17-/m0/s1