6-oxidanylidene-7-(1,4,5-trimethylimidazol-2-yl)sulfanyl-heptanoic acid

Systemtic Name: 6-oxidanylidene-7-(1,4,5-trimethylimidazol-2-yl)sulfanyl-heptanoic acid Openeye Name: 6-oxo-7-(1,4,5-trimethylimidazol-2-yl)sulfanyl-heptanoic acid CAS Name: 6-oxo-7-[(1,4,5-trimethyl-2-imidazolyl)thio]heptanoic acid IUPAC Name: 6-oxo-7-(1,4,5-trimethylimidazol-2-yl)sulfanylheptanoic acid Traditional Name: 6-keto-7-[(1,4,5-trimethylimidazol-2-yl)thio]enanthic acid Formula: C13H20N2O3S MolecularWeight: 284.3745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O3S/c1-9-10(2)15(3)13(14-9)19-8-11(16)6-4-5-7-12(17)18/h4-8H2,1-3H3,(H,17,18)