3-methyl-2-(1-methylbenzimidazol-2-yl)sulfanyl-butanoic acid

Systemtic Name: 3-methyl-2-(1-methylbenzimidazol-2-yl)sulfanyl-butanoic acid Openeye Name: 3-methyl-2-(1-methylbenzimidazol-2-yl)sulfanyl-butanoic acid CAS Name: 3-methyl-2-[(1-methyl-2-benzimidazolyl)thio]butanoic acid IUPAC Name: 3-methyl-2-(1-methylbenzimidazol-2-yl)sulfanylbutanoic acid Traditional Name: 3-methyl-2-[(1-methylbenzimidazol-2-yl)thio]butyric acid Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SC1=NC2=CC=CC=C2N1C

Isomeric SMILES

CC(C)C(C(=O)O)SC1=NC2=CC=CC=C2N1C

InChI

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