2-[1-[(2S)-pentan-2-yl]benzimidazol-2-yl]sulfanylethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O2S/c1-3-6-10(2)16-12-8-5-4-7-11(12)15-14(16)19-9-13(17)18/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,17,18)/p-1/t10-/m0/s1