4-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxycarbonyl-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-methoxycarbonyl-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-methoxycarbonyl-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-methoxycarbonyl-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-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]-2-nitrophenolate Traditional Name: 4-[(6S)-5-carbomethoxy-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]-2-nitro-phenolate Formula: C21H18N3O7S- MolecularWeight: 456.44852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC3=C(C=C2)OCCO3)C4=CC(=C(C=C4)[O-])[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1C2=CC3=C(C=C2)OCCO3)C4=CC(=C(C=C4)[O-])[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H19N3O7S/c1-11-18(20(26)29-2)19(12-3-5-15(25)14(9-12)24(27)28)22-21(32)23(11)13-4-6-16-17(10-13)31-8-7-30-16/h3-6,9-10,19,25H,7-8H2,1-2H3,(H,22,32)/p-1/t19-/m0/s1