methyl 5-oxidanylidene-6-(1,4,5-trimethylimidazol-2-yl)sulfanyl-hexanoate

Systemtic Name: methyl 5-oxidanylidene-6-(1,4,5-trimethylimidazol-2-yl)sulfanyl-hexanoate Openeye Name: methyl 5-oxo-6-(1,4,5-trimethylimidazol-2-yl)sulfanyl-hexanoate CAS Name: 5-oxo-6-[(1,4,5-trimethyl-2-imidazolyl)thio]hexanoic acid methyl ester IUPAC Name: methyl 5-oxo-6-(1,4,5-trimethylimidazol-2-yl)sulfanylhexanoate Traditional Name: 5-keto-6-[(1,4,5-trimethylimidazol-2-yl)thio]hexanoic acid methyl ester Formula: C13H20N2O3S MolecularWeight: 284.3745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O3S/c1-9-10(2)15(3)13(14-9)19-8-11(16)6-5-7-12(17)18-4/h5-8H2,1-4H3