2-(2-butylsulfanylbenzimidazol-1-yl)ethanoic acid

Systemtic Name: 2-(2-butylsulfanylbenzimidazol-1-yl)ethanoic acid Openeye Name: 2-(2-butylsulfanylbenzimidazol-1-yl)acetic acid CAS Name: 2-[2-(butylthio)-1-benzimidazolyl]acetic acid IUPAC Name: 2-(2-butylsulfanylbenzimidazol-1-yl)acetic acid Traditional Name: 2-[2-(butylthio)benzimidazol-1-yl]acetic acid Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=CC=CC=C2N1CC(=O)O

Isomeric SMILES

CCCCSC1=NC2=CC=CC=C2N1CC(=O)O

InChI

InChI=1S/C13H16N2O2S/c1-2-3-8-18-13-14-10-6-4-5-7-11(10)15(13)9-12(16)17/h4-7H,2-3,8-9H2,1H3,(H,16,17)