5-[(6-tert-butyl-2,3-dihydro-1H-indol-5-yl)sulfanyl]-2-[2-[2-(hydroxymethyl)phenyl]ethyl]-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one

Systemtic Name: 5-[(6-tert-butyl-2,3-dihydro-1H-indol-5-yl)sulfanyl]-2-[2-[2-(hydroxymethyl)phenyl]ethyl]-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 5-(6-tert-butylindolin-5-yl)sulfanyl-6-hydroxy-2-[2-[2-(hydroxymethyl)phenyl]ethyl]-2-isopropyl-3H-pyran-4-one CAS Name: 5-[(6-tert-butyl-2,3-dihydro-1H-indol-5-yl)thio]-6-hydroxy-2-[2-[2-(hydroxymethyl)phenyl]ethyl]-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 5-[(6-tert-butyl-2,3-dihydro-1H-indol-5-yl)sulfanyl]-6-hydroxy-2-[2-[2-(hydroxymethyl)phenyl]ethyl]-2-propan-2-yl-3H-pyran-4-one Traditional Name: 5-[(6-tert-butylindolin-5-yl)thio]-6-hydroxy-2-isopropyl-2-[2-(2-methylolphenyl)ethyl]-3H-pyran-4-one Formula: C29H37NO4S MolecularWeight: 495.67338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CC(=O)C(=C(O1)O)SC2=C(C=C3C(=C2)CCN3)C(C)(C)C)CCC4=CC=CC=C4CO

Isomeric SMILES

CC(C)C1(CC(=O)C(=C(O1)O)SC2=C(C=C3C(=C2)CCN3)C(C)(C)C)CCC4=CC=CC=C4CO

InChI

InChI=1S/C29H37NO4S/c1-18(2)29(12-10-19-8-6-7-9-21(19)17-31)16-24(32)26(27(33)34-29)35-25-14-20-11-13-30-23(20)15-22(25)28(3,4)5/h6-9,14-15,18,30-31,33H,10-13,16-17H2,1-5H3