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

Systemtic Name: 2-[2-(4-azanyl-2-methyl-phenyl)ethyl]-5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2-cyclohexyl-6-oxidanyl-3H-pyran-4-one Openeye Name: 2-[2-(4-amino-2-methyl-phenyl)ethyl]-5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2-cyclohexyl-6-hydroxy-3H-pyran-4-one CAS Name: 2-[2-(4-amino-2-methylphenyl)ethyl]-5-[[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]thio]-2-cyclohexyl-6-hydroxy-3H-pyran-4-one IUPAC Name: 2-[2-(4-amino-2-methylphenyl)ethyl]-5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-2-cyclohexyl-6-hydroxy-3H-pyran-4-one Traditional Name: 2-[2-(4-amino-2-methyl-phenyl)ethyl]-5-[(2-tert-butyl-5-methyl-4-methylol-phenyl)thio]-2-cyclohexyl-6-hydroxy-3H-pyran-4-one Formula: C32H43NO4S MolecularWeight: 537.75312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H43NO4S/c1-20-15-25(33)12-11-22(20)13-14-32(24-9-7-6-8-10-24)18-27(35)29(30(36)37-32)38-28-16-21(2)23(19-34)17-26(28)31(3,4)5/h11-12,15-17,24,34,36H,6-10,13-14,18-19,33H2,1-5H3