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

Systemtic Name: 5-oxidanylidene-2-(1,4,5-trimethylimidazol-2-yl)sulfanyl-hexanoic acid Openeye Name: 5-oxo-2-(1,4,5-trimethylimidazol-2-yl)sulfanyl-hexanoic acid CAS Name: 5-oxo-2-[(1,4,5-trimethyl-2-imidazolyl)thio]hexanoic acid IUPAC Name: 5-oxo-2-(1,4,5-trimethylimidazol-2-yl)sulfanylhexanoic acid Traditional Name: 5-keto-2-[(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)SC(CCC(=O)C)C(=O)O)C)C

Isomeric SMILES

CC1=C(N(C(=N1)SC(CCC(=O)C)C(=O)O)C)C

InChI

InChI=1S/C12H18N2O3S/c1-7(15)5-6-10(11(16)17)18-12-13-8(2)9(3)14(12)4/h10H,5-6H2,1-4H3,(H,16,17)