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

Systemtic Name: [5-tert-butyl-2-methyl-4-[(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)sulfanyl]phenyl] N-ethylsulfamate Openeye Name: [5-tert-butyl-4-[(6-hydroxy-2-isopropyl-4-oxo-2-phenethyl-3H-pyran-5-yl)sulfanyl]-2-methyl-phenyl] N-ethylsulfamate CAS Name: N-ethylsulfamic 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] N-ethylsulfamate Traditional Name: N-ethylsulfamic acid [5-tert-butyl-4-[(6-hydroxy-2-isopropyl-4-keto-2-phenethyl-3H-pyran-5-yl)thio]-2-methyl-phenyl] ester Formula: C29H39NO6S2 MolecularWeight: 561.75306

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)OC1=C(C=C(C(=C1)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C(C)C)O)C

Isomeric SMILES

CCNS(=O)(=O)OC1=C(C=C(C(=C1)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C(C)C)O)C

InChI

InChI=1S/C29H39NO6S2/c1-8-30-38(33,34)36-24-17-22(28(5,6)7)25(16-20(24)4)37-26-23(31)18-29(19(2)3,35-27(26)32)15-14-21-12-10-9-11-13-21/h9-13,16-17,19,30,32H,8,14-15,18H2,1-7H3