2-(1H-benzimidazol-2-ylsulfanyl)ethanoic acid; 2-[bis(2-hydroxyethyl)amino]ethanol

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)ethanoic acid; 2-[bis(2-hydroxyethyl)amino]ethanol Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)acetic acid; 2-[bis(2-hydroxyethyl)amino]ethanol CAS Name: 2-(1H-benzimidazol-2-ylthio)acetic acid; 2-[bis(2-hydroxyethyl)amino]ethanol IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)acetic acid; 2-[bis(2-hydroxyethyl)amino]ethanol Traditional Name: 2-(1H-benzimidazol-2-ylthio)acetic acid; 2-[bis(2-hydroxyethyl)amino]ethanol Formula: C15H23N3O5S MolecularWeight: 357.42522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC(=O)O.C(CO)N(CCO)CCO

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC(=O)O.C(CO)N(CCO)CCO

InChI

InChI=1S/C9H8N2O2S.C6H15NO3/c12-8(13)5-14-9-10-6-3-1-2-4-7(6)11-9;8-4-1-7(2-5-9)3-6-10/h1-4H,5H2,(H,10,11)(H,12,13);8-10H,1-6H2