2-[2-(4-aminophenyl)ethyl]-2-tert-butyl-5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-oxidanyl-3H-pyran-4-one

Systemtic Name: 2-[2-(4-aminophenyl)ethyl]-2-tert-butyl-5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-oxidanyl-3H-pyran-4-one Openeye Name: 2-[2-(4-aminophenyl)ethyl]-2-tert-butyl-5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-hydroxy-3H-pyran-4-one CAS Name: 2-[2-(4-aminophenyl)ethyl]-2-tert-butyl-5-[[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]thio]-6-hydroxy-3H-pyran-4-one IUPAC Name: 2-[2-(4-aminophenyl)ethyl]-2-tert-butyl-5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-6-hydroxy-3H-pyran-4-one Traditional Name: 2-[2-(4-aminophenyl)ethyl]-2-tert-butyl-5-[(2-tert-butyl-5-methyl-4-methylol-phenyl)thio]-6-hydroxy-3H-pyran-4-one Formula: C29H39NO4S MolecularWeight: 497.68926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)N)C(C)(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)N)C(C)(C)C)O

InChI

InChI=1S/C29H39NO4S/c1-18-14-24(22(27(2,3)4)15-20(18)17-31)35-25-23(32)16-29(28(5,6)7,34-26(25)33)13-12-19-8-10-21(30)11-9-19/h8-11,14-15,31,33H,12-13,16-17,30H2,1-7H3