2-(1-butylimidazol-2-yl)sulfanylethanoate

Systemtic Name: 2-(1-butylimidazol-2-yl)sulfanylethanoate Openeye Name: 2-(1-butylimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-butyl-2-imidazolyl)thio]acetate IUPAC Name: 2-(1-butylimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-butylimidazol-2-yl)thio]acetate Formula: C9H13N2O2S- MolecularWeight: 213.27672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CN=C1SCC(=O)[O-]

Isomeric SMILES

CCCCN1C=CN=C1SCC(=O)[O-]

InChI

InChI=1S/C9H14N2O2S/c1-2-3-5-11-6-4-10-9(11)14-7-8(12)13/h4,6H,2-3,5,7H2,1H3,(H,12,13)/p-1