2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC2=CC=CC=C2N1CC(=O)O

Isomeric SMILES

CC(C)CSC1=NC2=CC=CC=C2N1CC(=O)O

InChI

InChI=1S/C13H16N2O2S/c1-9(2)8-18-13-14-10-5-3-4-6-11(10)15(13)7-12(16)17/h3-6,9H,7-8H2,1-2H3,(H,16,17)