5-[(1-ethyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[(1-ethyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[(1-ethyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(1-ethyl-4,5-dimethyl-2-imidazolyl)thio]methyl]-2-furancarboxylate IUPAC Name: 5-[(1-ethyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(1-ethyl-4,5-dimethyl-imidazol-2-yl)thio]methyl]-2-furoate Formula: C13H15N2O3S- MolecularWeight: 279.3348

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCC2=CC=C(O2)C(=O)[O-])C)C

Isomeric SMILES

CCN1C(=C(N=C1SCC2=CC=C(O2)C(=O)[O-])C)C

InChI

InChI=1S/C13H16N2O3S/c1-4-15-9(3)8(2)14-13(15)19-7-10-5-6-11(18-10)12(16)17/h5-6H,4,7H2,1-3H3,(H,16,17)/p-1