[5-tert-butyl-2-methyl-4-[(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)sulfanyl]phenyl] imidazol-1-ylmethanesulfonate

Systemtic Name: [5-tert-butyl-2-methyl-4-[(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)sulfanyl]phenyl] imidazol-1-ylmethanesulfonate Openeye Name: [5-tert-butyl-4-[(6-hydroxy-2-isopropyl-4-oxo-2-phenethyl-3H-pyran-5-yl)sulfanyl]-2-methyl-phenyl] imidazol-1-ylmethanesulfonate CAS Name: 1-imidazolylmethanesulfonic acid [5-tert-butyl-4-[(6-hydroxy-4-oxo-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)thio]-2-methylphenyl] ester IUPAC Name: [5-tert-butyl-4-[(6-hydroxy-4-oxo-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)sulfanyl]-2-methylphenyl] imidazol-1-ylmethanesulfonate Traditional Name: imidazol-1-ylmethanesulfonic acid [5-tert-butyl-4-[(6-hydroxy-2-isopropyl-4-keto-2-phenethyl-3H-pyran-5-yl)thio]-2-methyl-phenyl] ester Formula: C31H38N2O6S2 MolecularWeight: 598.77322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C(C)C)O)C(C)(C)C)OS(=O)(=O)CN4C=CN=C4

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C(C)C)O)C(C)(C)C)OS(=O)(=O)CN4C=CN=C4

InChI

InChI=1S/C31H38N2O6S2/c1-21(2)31(13-12-23-10-8-7-9-11-23)18-25(34)28(29(35)38-31)40-27-16-22(3)26(17-24(27)30(4,5)6)39-41(36,37)20-33-15-14-32-19-33/h7-11,14-17,19,21,35H,12-13,18,20H2,1-6H3