5-oxidanylidene-6-(1,4,5-trimethylimidazol-2-yl)sulfanyl-hexanoic acid

Systemtic Name: 5-oxidanylidene-6-(1,4,5-trimethylimidazol-2-yl)sulfanyl-hexanoic acid Openeye Name: 5-oxo-6-(1,4,5-trimethylimidazol-2-yl)sulfanyl-hexanoic acid CAS Name: 5-oxo-6-[(1,4,5-trimethyl-2-imidazolyl)thio]hexanoic acid IUPAC Name: 5-oxo-6-(1,4,5-trimethylimidazol-2-yl)sulfanylhexanoic acid Traditional Name: 5-keto-6-[(1,4,5-trimethylimidazol-2-yl)thio]hexanoic acid Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)CCCC(=O)O)C)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)CCCC(=O)O)C)C

InChI

InChI=1S/C12H18N2O3S/c1-8-9(2)14(3)12(13-8)18-7-10(15)5-4-6-11(16)17/h4-7H2,1-3H3,(H,16,17)