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

Systemtic Name: 4-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Openeye Name: 4-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethoxycarbonyl-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate CAS Name: 4-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate IUPAC Name: 4-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate Traditional Name: 4-[(6S)-5-carbethoxy-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Formula: C22H20N3O7S- MolecularWeight: 470.4751

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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=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@H]1C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C22H21N3O7S/c1-3-30-21(27)19-12(2)24(14-5-7-17-18(11-14)32-9-8-31-17)22(33)23-20(19)13-4-6-16(26)15(10-13)25(28)29/h4-7,10-11,20,26H,3,8-9H2,1-2H3,(H,23,33)/p-1/t20-/m0/s1