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

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)octanoic acid Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)octanoic acid CAS Name: 2-(1H-benzimidazol-2-ylthio)octanoic acid IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)octanoic acid Traditional Name: 2-(1H-benzimidazol-2-ylthio)caprylic acid Formula: C15H20N2O2S MolecularWeight: 292.3965

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=NC2=CC=CC=C2N1

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C15H20N2O2S/c1-2-3-4-5-10-13(14(18)19)20-15-16-11-8-6-7-9-12(11)17-15/h6-9,13H,2-5,10H2,1H3,(H,16,17)(H,18,19)