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

Systemtic Name: 5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-cyclohexyl-2-[2-[2-(hydroxymethyl)thiophen-3-yl]ethyl]-6-oxidanyl-3H-pyran-4-one Openeye Name: 5-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-cyclohexyl-6-hydroxy-2-[2-[2-(hydroxymethyl)-3-thienyl]ethyl]-3H-pyran-4-one CAS Name: 5-[(4-amino-2-tert-butyl-5-methylphenyl)thio]-2-cyclohexyl-6-hydroxy-2-[2-[2-(hydroxymethyl)-3-thiophenyl]ethyl]-3H-pyran-4-one IUPAC Name: 5-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-2-cyclohexyl-6-hydroxy-2-[2-[2-(hydroxymethyl)thiophen-3-yl]ethyl]-3H-pyran-4-one Traditional Name: 5-[(4-amino-2-tert-butyl-5-methyl-phenyl)thio]-2-cyclohexyl-6-hydroxy-2-[2-(2-methylol-3-thienyl)ethyl]-3H-pyran-4-one Formula: C29H39NO4S2 MolecularWeight: 529.75426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=C(SC=C3)CO)C4CCCCC4)O)C(C)(C)C)N

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=C(SC=C3)CO)C4CCCCC4)O)C(C)(C)C)N

InChI

InChI=1S/C29H39NO4S2/c1-18-14-24(21(15-22(18)30)28(2,3)4)36-26-23(32)16-29(34-27(26)33,20-8-6-5-7-9-20)12-10-19-11-13-35-25(19)17-31/h11,13-15,20,31,33H,5-10,12,16-17,30H2,1-4H3