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

Systemtic Name: 5-(5-tert-butyl-2-methyl-pyridin-4-yl)sulfanyl-2-[2-[2-(hydroxymethyl)phenyl]ethyl]-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 5-[(5-tert-butyl-2-methyl-4-pyridyl)sulfanyl]-6-hydroxy-2-[2-[2-(hydroxymethyl)phenyl]ethyl]-2-isopropyl-3H-pyran-4-one CAS Name: 5-[(5-tert-butyl-2-methyl-4-pyridinyl)thio]-6-hydroxy-2-[2-[2-(hydroxymethyl)phenyl]ethyl]-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 5-(5-tert-butyl-2-methylpyridin-4-yl)sulfanyl-6-hydroxy-2-[2-[2-(hydroxymethyl)phenyl]ethyl]-2-propan-2-yl-3H-pyran-4-one Traditional Name: 5-[(5-tert-butyl-2-methyl-4-pyridyl)thio]-6-hydroxy-2-isopropyl-2-[2-(2-methylolphenyl)ethyl]-3H-pyran-4-one Formula: C27H35NO4S MolecularWeight: 469.6361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3CO)C(C)C)O)C(C)(C)C

Isomeric SMILES

CC1=NC=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3CO)C(C)C)O)C(C)(C)C

InChI

InChI=1S/C27H35NO4S/c1-17(2)27(12-11-19-9-7-8-10-20(19)16-29)14-22(30)24(25(31)32-27)33-23-13-18(3)28-15-21(23)26(4,5)6/h7-10,13,15,17,29,31H,11-12,14,16H2,1-6H3