[6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 2-cyclohexylethanoate

Systemtic Name: [6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 2-cyclohexylethanoate Openeye Name: [6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 2-cyclohexylacetate CAS Name: 2-cyclohexylacetic acid [6-[[(1-methyl-2-imidazolyl)thio]methyl]-4-oxo-3-pyranyl] ester IUPAC Name: [6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-cyclohexylacetate Traditional Name: 2-cyclohexylacetic acid [4-keto-6-[[(1-methylimidazol-2-yl)thio]methyl]pyran-3-yl] ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=CC(=O)C(=CO2)OC(=O)CC3CCCCC3

Isomeric SMILES

CN1C=CN=C1SCC2=CC(=O)C(=CO2)OC(=O)CC3CCCCC3

InChI

InChI=1S/C18H22N2O4S/c1-20-8-7-19-18(20)25-12-14-10-15(21)16(11-23-14)24-17(22)9-13-5-3-2-4-6-13/h7-8,10-11,13H,2-6,9,12H2,1H3