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

Systemtic Name: 7-[(5-chloranyl-4-methoxycarbonyl-1H-benzimidazol-2-yl)sulfanyl]-2-oxidanylidene-1,3-dihydrobenzimidazole-5-carboxylic acid Openeye Name: 7-[(5-chloro-4-methoxycarbonyl-1H-benzimidazol-2-yl)sulfanyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid CAS Name: 7-[(5-chloro-4-methoxycarbonyl-1H-benzimidazol-2-yl)thio]-2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid IUPAC Name: 7-[(5-chloro-4-methoxycarbonyl-1H-benzimidazol-2-yl)sulfanyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid Traditional Name: 7-[(4-carbomethoxy-5-chloro-1H-benzimidazol-2-yl)thio]-2-keto-1,3-dihydrobenzimidazole-5-carboxylic acid Formula: C17H11ClN4O5S MolecularWeight: 418.81104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC2=C1N=C(N2)SC3=CC(=CC4=C3NC(=O)N4)C(=O)O)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC2=C1N=C(N2)SC3=CC(=CC4=C3NC(=O)N4)C(=O)O)Cl

InChI

InChI=1S/C17H11ClN4O5S/c1-27-15(25)11-7(18)2-3-8-13(11)22-17(20-8)28-10-5-6(14(23)24)4-9-12(10)21-16(26)19-9/h2-5H,1H3,(H,20,22)(H,23,24)(H2,19,21,26)