5-[2-(1-ethanoylbenzimidazol-2-yl)sulfanylethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: 5-[2-(1-ethanoylbenzimidazol-2-yl)sulfanylethanoylamino]benzene-1,3-dicarboxylate Openeye Name: 5-[[2-(1-acetylbenzimidazol-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(1-acetyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[[2-(1-acetylbenzimidazol-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(1-acetylbenzimidazol-2-yl)thio]acetyl]amino]isophthalate Formula: C19H13N3O6S-2 MolecularWeight: 411.38802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(=O)N1C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C19H15N3O6S/c1-10(23)22-15-5-3-2-4-14(15)21-19(22)29-9-16(24)20-13-7-11(17(25)26)6-12(8-13)18(27)28/h2-8H,9H2,1H3,(H,20,24)(H,25,26)(H,27,28)/p-2