5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-2,2-dicyclopentyl-6-oxidanyl-3H-pyran-4-one

Systemtic Name: 5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-2,2-dicyclopentyl-6-oxidanyl-3H-pyran-4-one Openeye Name: 5-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-2,2-dicyclopentyl-6-hydroxy-3H-pyran-4-one CAS Name: 5-[(4-amino-2-tert-butyl-5-methylphenyl)thio]-2,2-dicyclopentyl-6-hydroxy-3H-pyran-4-one IUPAC Name: 5-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-2,2-dicyclopentyl-6-hydroxy-3H-pyran-4-one Traditional Name: 5-[(4-amino-2-tert-butyl-5-methyl-phenyl)thio]-2,2-dicyclopentyl-6-hydroxy-3H-pyran-4-one Formula: C26H37NO3S MolecularWeight: 443.64188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(C3CCCC3)C4CCCC4)O)C(C)(C)C)N

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(C3CCCC3)C4CCCC4)O)C(C)(C)C)N

InChI

InChI=1S/C26H37NO3S/c1-16-13-22(19(14-20(16)27)25(2,3)4)31-23-21(28)15-26(30-24(23)29,17-9-5-6-10-17)18-11-7-8-12-18/h13-14,17-18,29H,5-12,15,27H2,1-4H3