2-(2-butan-2-ylsulfanylbenzimidazol-1-yl)ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC2=CC=CC=C2N1CC(=O)O

Isomeric SMILES

CCC(C)SC1=NC2=CC=CC=C2N1CC(=O)O

InChI

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