7-[[5-chloranyl-4-(2-hydroxyethyloxycarbonyl)-1H-benzimidazol-2-yl]sulfanyl]-2-oxidanylidene-1,3-dihydrobenzimidazole-5-carboxylic acid

Systemtic Name: 7-[[5-chloranyl-4-(2-hydroxyethyloxycarbonyl)-1H-benzimidazol-2-yl]sulfanyl]-2-oxidanylidene-1,3-dihydrobenzimidazole-5-carboxylic acid Openeye Name: 7-[[5-chloro-4-(2-hydroxyethoxycarbonyl)-1H-benzimidazol-2-yl]sulfanyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid CAS Name: 7-[[5-chloro-4-[2-hydroxyethoxy(oxo)methyl]-1H-benzimidazol-2-yl]thio]-2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid IUPAC Name: 7-[[5-chloro-4-(2-hydroxyethoxycarbonyl)-1H-benzimidazol-2-yl]sulfanyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid Traditional Name: 7-[[5-chloro-4-(2-hydroxyethoxycarbonyl)-1H-benzimidazol-2-yl]thio]-2-keto-1,3-dihydrobenzimidazole-5-carboxylic acid Formula: C18H13ClN4O6S MolecularWeight: 448.83702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=C1NC(=N2)SC3=CC(=CC4=C3NC(=O)N4)C(=O)O)C(=O)OCCO)Cl

Isomeric SMILES

C1=CC(=C(C2=C1NC(=N2)SC3=CC(=CC4=C3NC(=O)N4)C(=O)O)C(=O)OCCO)Cl

InChI

InChI=1S/C18H13ClN4O6S/c19-8-1-2-9-14(12(8)16(27)29-4-3-24)23-18(21-9)30-11-6-7(15(25)26)5-10-13(11)22-17(28)20-10/h1-2,5-6,24H,3-4H2,(H,21,23)(H,25,26)(H2,20,22,28)