2-(1H-benzimidazol-2-ylsulfanyl)pentanedioic acid

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)pentanedioic acid Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)pentanedioic acid CAS Name: 2-(1H-benzimidazol-2-ylthio)pentanedioic acid IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)pentanedioic acid Traditional Name: 2-(1H-benzimidazol-2-ylthio)glutaric acid Formula: C12H12N2O4S MolecularWeight: 280.29968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C12H12N2O4S/c15-10(16)6-5-9(11(17)18)19-12-13-7-3-1-2-4-8(7)14-12/h1-4,9H,5-6H2,(H,13,14)(H,15,16)(H,17,18)