3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid

Systemtic Name: 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid Openeye Name: 4-hydroxy-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-oxo-furan-2-carboxylic acid CAS Name: 4-hydroxy-3-[(6-methyl-1H-benzimidazol-2-yl)thio]-2-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-5-oxo-2-furancarboxylic acid IUPAC Name: 4-hydroxy-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-oxofuran-2-carboxylic acid Traditional Name: 4-hydroxy-5-keto-3-[(6-methyl-1H-benzimidazol-2-yl)thio]-2-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-2-furoic acid Formula: C22H18N4O5S2 MolecularWeight: 482.53212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC3(C(=C(C(=O)O3)O)SC4=NC5=C(N4)C=C(C=C5)C)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC3(C(=C(C(=O)O3)O)SC4=NC5=C(N4)C=C(C=C5)C)C(=O)O

InChI

InChI=1S/C22H18N4O5S2/c1-10-3-5-12-14(7-10)25-20(23-12)32-9-22(19(29)30)17(16(27)18(28)31-22)33-21-24-13-6-4-11(2)8-15(13)26-21/h3-8,27H,9H2,1-2H3,(H,23,25)(H,24,26)(H,29,30)