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

Systemtic Name: 5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-2-propyl-3H-pyran-4-one Openeye Name: 5-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-propyl-3H-pyran-4-one CAS Name: 5-[(4-amino-2-tert-butyl-5-methylphenyl)thio]-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-propyl-3H-pyran-4-one IUPAC Name: 5-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-propyl-3H-pyran-4-one Traditional Name: 5-[(4-amino-2-tert-butyl-5-methyl-phenyl)thio]-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-propyl-3H-pyran-4-one Formula: C27H35NO4S MolecularWeight: 469.6361

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(=O)C(=C(O1)O)SC2=CC(=C(C=C2C(C)(C)C)N)C)CCC3=CC=C(C=C3)O

Isomeric SMILES

CCCC1(CC(=O)C(=C(O1)O)SC2=CC(=C(C=C2C(C)(C)C)N)C)CCC3=CC=C(C=C3)O

InChI

InChI=1S/C27H35NO4S/c1-6-12-27(13-11-18-7-9-19(29)10-8-18)16-22(30)24(25(31)32-27)33-23-14-17(2)21(28)15-20(23)26(3,4)5/h7-10,14-15,29,31H,6,11-13,16,28H2,1-5H3