3-(1H-benzimidazol-2-ylsulfanyl)-3-methyl-butanoic acid

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanyl)-3-methyl-butanoic acid Openeye Name: 3-(1H-benzimidazol-2-ylsulfanyl)-3-methyl-butanoic acid CAS Name: 3-(1H-benzimidazol-2-ylthio)-3-methylbutanoic acid IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanyl)-3-methylbutanoic acid Traditional Name: 3-(1H-benzimidazol-2-ylthio)-3-methyl-butyric acid Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O2S/c1-12(2,7-10(15)16)17-11-13-8-5-3-4-6-9(8)14-11/h3-6H,7H2,1-2H3,(H,13,14)(H,15,16)