2-[2-(4-aminophenyl)ethyl]-5-[2-tert-butyl-4-(3,3-dimethyl-2-oxidanylidene-butoxy)-5-methyl-phenyl]sulfanyl-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one

Systemtic Name: 2-[2-(4-aminophenyl)ethyl]-5-[2-tert-butyl-4-(3,3-dimethyl-2-oxidanylidene-butoxy)-5-methyl-phenyl]sulfanyl-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 2-[2-(4-aminophenyl)ethyl]-5-[2-tert-butyl-4-(3,3-dimethyl-2-oxo-butoxy)-5-methyl-phenyl]sulfanyl-6-hydroxy-2-isopropyl-3H-pyran-4-one CAS Name: 2-[2-(4-aminophenyl)ethyl]-5-[[2-tert-butyl-4-(3,3-dimethyl-2-oxobutoxy)-5-methylphenyl]thio]-6-hydroxy-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 2-[2-(4-aminophenyl)ethyl]-5-[2-tert-butyl-4-(3,3-dimethyl-2-oxobutoxy)-5-methylphenyl]sulfanyl-6-hydroxy-2-propan-2-yl-3H-pyran-4-one Traditional Name: 2-[2-(4-aminophenyl)ethyl]-5-[[2-tert-butyl-4-(2-keto-3,3-dimethyl-butoxy)-5-methyl-phenyl]thio]-6-hydroxy-2-isopropyl-3H-pyran-4-one Formula: C33H45NO5S MolecularWeight: 567.7791

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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)N)C(C)C)O)C(C)(C)C)OCC(=O)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C33H45NO5S/c1-20(2)33(15-14-22-10-12-23(34)13-11-22)18-25(35)29(30(37)39-33)40-27-16-21(3)26(17-24(27)31(4,5)6)38-19-28(36)32(7,8)9/h10-13,16-17,20,37H,14-15,18-19,34H2,1-9H3