3-(1H-benzimidazol-2-ylsulfanyl)-2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanyl)-2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid Openeye Name: 3-(1H-benzimidazol-2-ylsulfanyl)-2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-hydroxy-5-oxo-furan-2-carboxylic acid CAS Name: 3-(1H-benzimidazol-2-ylthio)-2-[(1H-benzimidazol-2-ylthio)methyl]-4-hydroxy-5-oxo-2-furancarboxylic acid IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanyl)-2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-hydroxy-5-oxofuran-2-carboxylic acid Traditional Name: 3-(1H-benzimidazol-2-ylthio)-2-[(1H-benzimidazol-2-ylthio)methyl]-4-hydroxy-5-keto-2-furoic acid Formula: C20H14N4O5S2 MolecularWeight: 454.47896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC3(C(=C(C(=O)O3)O)SC4=NC5=CC=CC=C5N4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC3(C(=C(C(=O)O3)O)SC4=NC5=CC=CC=C5N4)C(=O)O

InChI

InChI=1S/C20H14N4O5S2/c25-14-15(31-19-23-12-7-3-4-8-13(12)24-19)20(17(27)28,29-16(14)26)9-30-18-21-10-5-1-2-6-11(10)22-18/h1-8,25H,9H2,(H,21,22)(H,23,24)(H,27,28)