2-[2-(4-aminophenyl)ethyl]-5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2-cyclohexyl-6-oxidanyl-3H-pyran-4-one

Systemtic Name: 2-[2-(4-aminophenyl)ethyl]-5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2-cyclohexyl-6-oxidanyl-3H-pyran-4-one Openeye Name: 2-[2-(4-aminophenyl)ethyl]-5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2-cyclohexyl-6-hydroxy-3H-pyran-4-one CAS Name: 2-[2-(4-aminophenyl)ethyl]-5-[[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]thio]-2-cyclohexyl-6-hydroxy-3H-pyran-4-one IUPAC Name: 2-[2-(4-aminophenyl)ethyl]-5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-2-cyclohexyl-6-hydroxy-3H-pyran-4-one Traditional Name: 2-[2-(4-aminophenyl)ethyl]-5-[(2-tert-butyl-5-methyl-4-methylol-phenyl)thio]-2-cyclohexyl-6-hydroxy-3H-pyran-4-one Formula: C31H41NO4S MolecularWeight: 523.72654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)N)C4CCCCC4)O

Isomeric SMILES

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)N)C4CCCCC4)O

InChI

InChI=1S/C31H41NO4S/c1-20-16-27(25(30(2,3)4)17-22(20)19-33)37-28-26(34)18-31(36-29(28)35,23-8-6-5-7-9-23)15-14-21-10-12-24(32)13-11-21/h10-13,16-17,23,33,35H,5-9,14-15,18-19,32H2,1-4H3