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

Systemtic Name: 4-[(6S)-3-(3-ethoxypropyl)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Openeye Name: 4-[(6S)-3-(3-ethoxypropyl)-5-methoxycarbonyl-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate CAS Name: 4-[(6S)-3-(3-ethoxypropyl)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate IUPAC Name: 4-[(6S)-3-(3-ethoxypropyl)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate Traditional Name: 4-[(6S)-5-carbomethoxy-3-(3-ethoxypropyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Formula: C18H22N3O6S- MolecularWeight: 408.44878

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O6S/c1-4-27-9-5-8-20-11(2)15(17(23)26-3)16(19-18(20)28)12-6-7-14(22)13(10-12)21(24)25/h6-7,10,16,22H,4-5,8-9H2,1-3H3,(H,19,28)/p-1/t16-/m0/s1