2-[1-[(2S)-3-methylbutan-2-yl]benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-[(2S)-3-methylbutan-2-yl]benzimidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-[(1S)-1,2-dimethylpropyl]benzimidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-[(2S)-3-methylbutan-2-yl]-2-benzimidazolyl]thio]acetate IUPAC Name: 2-[1-[(2S)-3-methylbutan-2-yl]benzimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-[(1S)-1,2-dimethylpropyl]benzimidazol-2-yl]thio]acetate Formula: C14H17N2O2S- MolecularWeight: 277.36198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)N1C2=CC=CC=C2N=C1SCC(=O)[O-]

Isomeric SMILES

C[C@@H](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)/p-1/t10-/m0/s1