2-[1-(3-methylbutan-2-yl)benzimidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(3-methylbutan-2-yl)benzimidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(1,2-dimethylpropyl)benzimidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(3-methylbutan-2-yl)-2-benzimidazolyl]thio]acetic acid IUPAC Name: 2-[1-(3-methylbutan-2-yl)benzimidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(1,2-dimethylpropyl)benzimidazol-2-yl]thio]acetic acid Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)N1C2=CC=CC=C2N=C1SCC(=O)O

Isomeric SMILES

CC(C)C(C)N1C2=CC=CC=C2N=C1SCC(=O)O

InChI

InChI=1S/C14H18N2O2S/c1-9(2)10(3)16-12-7-5-4-6-11(12)15-14(16)19-8-13(17)18/h4-7,9-10H,8H2,1-3H3,(H,17,18)