3-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-propan-2-yl-6-(2-pyridin-4-ylethyl)oxane-2,4-dione

Systemtic Name: 3-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-propan-2-yl-6-(2-pyridin-4-ylethyl)oxane-2,4-dione Openeye Name: 3-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-isopropyl-6-[2-(4-pyridyl)ethyl]tetrahydropyran-2,4-dione CAS Name: 3-[[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]thio]-6-propan-2-yl-6-(2-pyridin-4-ylethyl)oxane-2,4-dione IUPAC Name: 3-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-6-propan-2-yl-6-(2-pyridin-4-ylethyl)oxane-2,4-dione Traditional Name: 3-[(2-tert-butyl-5-methyl-4-methylol-phenyl)thio]-6-isopropyl-6-[2-(4-pyridyl)ethyl]tetrahydropyran-2,4-quinone Formula: C27H35NO4S MolecularWeight: 469.6361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2C(=O)CC(OC2=O)(CCC3=CC=NC=C3)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2C(=O)CC(OC2=O)(CCC3=CC=NC=C3)C(C)C

InChI

InChI=1S/C27H35NO4S/c1-17(2)27(10-7-19-8-11-28-12-9-19)15-22(30)24(25(31)32-27)33-23-13-18(3)20(16-29)14-21(23)26(4,5)6/h8-9,11-14,17,24,29H,7,10,15-16H2,1-6H3