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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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