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

Systemtic Name: 2-[2-(3H-benzimidazol-5-yl)ethyl]-5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 2-[2-(3H-benzimidazol-5-yl)ethyl]-5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-hydroxy-2-isopropyl-3H-pyran-4-one CAS Name: 2-[2-(3H-benzimidazol-5-yl)ethyl]-5-[[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]thio]-6-hydroxy-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 2-[2-(3H-benzimidazol-5-yl)ethyl]-5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-6-hydroxy-2-propan-2-yl-3H-pyran-4-one Traditional Name: 2-[2-(3H-benzimidazol-5-yl)ethyl]-5-[(2-tert-butyl-5-methyl-4-methylol-phenyl)thio]-6-hydroxy-2-isopropyl-3H-pyran-4-one Formula: C29H36N2O4S MolecularWeight: 508.67214

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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=CC4=C(C=C3)N=CN4)C(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC4=C(C=C3)N=CN4)C(C)C)O

InChI

InChI=1S/C29H36N2O4S/c1-17(2)29(10-9-19-7-8-22-23(12-19)31-16-30-22)14-24(33)26(27(34)35-29)36-25-11-18(3)20(15-32)13-21(25)28(4,5)6/h7-8,11-13,16-17,32,34H,9-10,14-15H2,1-6H3,(H,30,31)