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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(O[C@@](CC2=O)(CCC3=CC=C(C=C3)O)C(C)C)O)C(C)(C)C)N

InChI

InChI=1S/C27H35NO4S/c1-16(2)27(12-11-18-7-9-19(29)10-8-18)15-22(30)24(25(31)32-27)33-23-13-17(3)21(28)14-20(23)26(4,5)6/h7-10,13-14,16,29,31H,11-12,15,28H2,1-6H3/t27-/m1/s1