5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2-cyclopentyl-6-oxidanyl-2-(2-thiophen-2-ylethyl)-3H-pyran-4-one

Systemtic Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2-cyclopentyl-6-oxidanyl-2-(2-thiophen-2-ylethyl)-3H-pyran-4-one Openeye Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2-cyclopentyl-6-hydroxy-2-[2-(2-thienyl)ethyl]-3H-pyran-4-one CAS Name: 5-[[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]thio]-2-cyclopentyl-6-hydroxy-2-(2-thiophen-2-ylethyl)-3H-pyran-4-one IUPAC Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-2-cyclopentyl-6-hydroxy-2-(2-thiophen-2-ylethyl)-3H-pyran-4-one Traditional Name: 5-[(2-tert-butyl-5-methyl-4-methylol-phenyl)thio]-2-cyclopentyl-6-hydroxy-2-[2-(2-thienyl)ethyl]-3H-pyran-4-one Formula: C28H36O4S2 MolecularWeight: 500.71304

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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=CS3)C4CCCC4)O

Isomeric SMILES

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=CS3)C4CCCC4)O

InChI

InChI=1S/C28H36O4S2/c1-18-14-24(22(27(2,3)4)15-19(18)17-29)34-25-23(30)16-28(32-26(25)31,20-8-5-6-9-20)12-11-21-10-7-13-33-21/h7,10,13-15,20,29,31H,5-6,8-9,11-12,16-17H2,1-4H3