methyl 6-oxidanylidene-7-(1,4,5-trimethylimidazol-2-yl)sulfanyl-heptanoate

Systemtic Name: methyl 6-oxidanylidene-7-(1,4,5-trimethylimidazol-2-yl)sulfanyl-heptanoate Openeye Name: methyl 6-oxo-7-(1,4,5-trimethylimidazol-2-yl)sulfanyl-heptanoate CAS Name: 6-oxo-7-[(1,4,5-trimethyl-2-imidazolyl)thio]heptanoic acid methyl ester IUPAC Name: methyl 6-oxo-7-(1,4,5-trimethylimidazol-2-yl)sulfanylheptanoate Traditional Name: 6-keto-7-[(1,4,5-trimethylimidazol-2-yl)thio]enanthic acid methyl ester Formula: C14H22N2O3S MolecularWeight: 298.40108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O3S/c1-10-11(2)16(3)14(15-10)20-9-12(17)7-5-6-8-13(18)19-4/h5-9H2,1-4H3