5-[(6-tert-butyl-1H-indol-5-yl)sulfanyl]-6-oxidanyl-2-phenethyl-2-propyl-3H-pyran-4-one

Systemtic Name: 5-[(6-tert-butyl-1H-indol-5-yl)sulfanyl]-6-oxidanyl-2-phenethyl-2-propyl-3H-pyran-4-one Openeye Name: 5-[(6-tert-butyl-1H-indol-5-yl)sulfanyl]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one CAS Name: 5-[(6-tert-butyl-1H-indol-5-yl)thio]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one IUPAC Name: 5-[(6-tert-butyl-1H-indol-5-yl)sulfanyl]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one Traditional Name: 5-[(6-tert-butyl-1H-indol-5-yl)thio]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one Formula: C28H33NO3S MolecularWeight: 463.63152

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(=O)C(=C(O1)O)SC2=C(C=C3C(=C2)C=CN3)C(C)(C)C)CCC4=CC=CC=C4

Isomeric SMILES

CCCC1(CC(=O)C(=C(O1)O)SC2=C(C=C3C(=C2)C=CN3)C(C)(C)C)CCC4=CC=CC=C4

InChI

InChI=1S/C28H33NO3S/c1-5-13-28(14-11-19-9-7-6-8-10-19)18-23(30)25(26(31)32-28)33-24-16-20-12-15-29-22(20)17-21(24)27(2,3)4/h6-10,12,15-17,29,31H,5,11,13-14,18H2,1-4H3