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

Systemtic Name: [4-[[2-[2-(4-aminophenyl)ethyl]-6-oxidanyl-4-oxidanylidene-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]-5-tert-butyl-2-methyl-phenyl] N-ethylsulfamate Openeye Name: [4-[[2-[2-(4-aminophenyl)ethyl]-6-hydroxy-2-isopropyl-4-oxo-3H-pyran-5-yl]sulfanyl]-5-tert-butyl-2-methyl-phenyl] N-ethylsulfamate CAS Name: N-ethylsulfamic acid [4-[[2-[2-(4-aminophenyl)ethyl]-6-hydroxy-4-oxo-2-propan-2-yl-3H-pyran-5-yl]thio]-5-tert-butyl-2-methylphenyl] ester IUPAC Name: [4-[[2-[2-(4-aminophenyl)ethyl]-6-hydroxy-4-oxo-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]-5-tert-butyl-2-methylphenyl] N-ethylsulfamate Traditional Name: N-ethylsulfamic acid [4-[[2-[2-(4-aminophenyl)ethyl]-6-hydroxy-2-isopropyl-4-keto-3H-pyran-5-yl]thio]-5-tert-butyl-2-methyl-phenyl] ester Formula: C29H40N2O6S2 MolecularWeight: 576.7677

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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=C(C=C3)N)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=C(C=C3)N)C(C)C)O)C

InChI

InChI=1S/C29H40N2O6S2/c1-8-31-39(34,35)37-24-16-22(28(5,6)7)25(15-19(24)4)38-26-23(32)17-29(18(2)3,36-27(26)33)14-13-20-9-11-21(30)12-10-20/h9-12,15-16,18,31,33H,8,13-14,17,30H2,1-7H3