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

Systemtic Name: 2-[1-[(2S)-3-methylbutan-2-yl]imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-[(1S)-1,2-dimethylpropyl]imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-[(2S)-3-methylbutan-2-yl]-2-imidazolyl]thio]acetate IUPAC Name: 2-[1-[(2S)-3-methylbutan-2-yl]imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-[(1S)-1,2-dimethylpropyl]imidazol-2-yl]thio]acetate Formula: C10H15N2O2S- MolecularWeight: 227.3033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)N1C=CN=C1SCC(=O)[O-]

Isomeric SMILES

C[C@@H](C(C)C)N1C=CN=C1SCC(=O)[O-]

InChI

InChI=1S/C10H16N2O2S/c1-7(2)8(3)12-5-4-11-10(12)15-6-9(13)14/h4-5,7-8H,6H2,1-3H3,(H,13,14)/p-1/t8-/m0/s1