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

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

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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(C)C

Isomeric 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(C)C

InChI

InChI=1S/C29H39NO4S/c1-18(2)29(14-13-20-9-11-21(31)12-10-20)17-24(32)26(27(33)34-29)35-25-15-19(3)23(30(7)8)16-22(25)28(4,5)6/h9-12,15-16,18,31,33H,13-14,17H2,1-8H3