3-(1-ethyl-4,5-dimethyl-imidazol-2-yl)sulfanylpropanoic acid

Systemtic Name: 3-(1-ethyl-4,5-dimethyl-imidazol-2-yl)sulfanylpropanoic acid Openeye Name: 3-(1-ethyl-4,5-dimethyl-imidazol-2-yl)sulfanylpropanoic acid CAS Name: 3-[(1-ethyl-4,5-dimethyl-2-imidazolyl)thio]propanoic acid IUPAC Name: 3-(1-ethyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(1-ethyl-4,5-dimethyl-imidazol-2-yl)thio]propionic acid Formula: C10H16N2O2S MolecularWeight: 228.31124

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCC(=O)O)C)C

Isomeric SMILES

CCN1C(=C(N=C1SCCC(=O)O)C)C

InChI

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