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

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)butanedioic acid Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)butanedioic acid CAS Name: 2-(1H-benzimidazol-2-ylthio)butanedioic acid IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)butanedioic acid Traditional Name: 2-(1H-benzimidazol-2-ylthio)succinic acid Formula: C11H10N2O4S MolecularWeight: 266.2731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O4S/c14-9(15)5-8(10(16)17)18-11-12-6-3-1-2-4-7(6)13-11/h1-4,8H,5H2,(H,12,13)(H,14,15)(H,16,17)