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

Systemtic Name: 5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-[2-(4-hydroxyphenyl)ethyl]-2-(2-methylpropyl)-6-oxidanyl-3H-pyran-4-one Openeye Name: 5-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-isobutyl-3H-pyran-4-one CAS Name: 5-[(4-amino-2-tert-butyl-5-methylphenyl)thio]-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-(2-methylpropyl)-3H-pyran-4-one IUPAC Name: 5-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-(2-methylpropyl)-3H-pyran-4-one Traditional Name: 5-[(4-amino-2-tert-butyl-5-methyl-phenyl)thio]-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-isobutyl-3H-pyran-4-one Formula: C28H37NO4S MolecularWeight: 483.66268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)O)CC(C)C)O)C(C)(C)C)N

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)O)CC(C)C)O)C(C)(C)C)N

InChI

InChI=1S/C28H37NO4S/c1-17(2)15-28(12-11-19-7-9-20(30)10-8-19)16-23(31)25(26(32)33-28)34-24-13-18(3)22(29)14-21(24)27(4,5)6/h7-10,13-14,17,30,32H,11-12,15-16,29H2,1-6H3