2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-(4-hydroxy-4-oxo-butyl)sulfanyl-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[(4-hydroxy-4-oxobutyl)thio]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-(4-hydroxy-4-oxobutyl)sulfanyl-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[(4-hydroxy-4-keto-butyl)thio]-3H-benzimidazole-5-carboxylic acid Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)NC(=N2)SCCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)NC(=N2)SCCCC(=O)O

InChI

InChI=1S/C12H12N2O4S/c15-10(16)2-1-5-19-12-13-8-4-3-7(11(17)18)6-9(8)14-12/h3-4,6H,1-2,5H2,(H,13,14)(H,15,16)(H,17,18)