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

Systemtic Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2-[2-(1H-indol-3-yl)ethyl]-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-hydroxy-2-[2-(1H-indol-3-yl)ethyl]-2-isopropyl-3H-pyran-4-one CAS Name: 5-[[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]thio]-6-hydroxy-2-[2-(1H-indol-3-yl)ethyl]-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-6-hydroxy-2-[2-(1H-indol-3-yl)ethyl]-2-propan-2-yl-3H-pyran-4-one Traditional Name: 5-[(2-tert-butyl-5-methyl-4-methylol-phenyl)thio]-6-hydroxy-2-[2-(1H-indol-3-yl)ethyl]-2-isopropyl-3H-pyran-4-one Formula: C30H37NO4S MolecularWeight: 507.68408

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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=CNC4=CC=CC=C43)C(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CNC4=CC=CC=C43)C(C)C)O

InChI

InChI=1S/C30H37NO4S/c1-18(2)30(12-11-20-16-31-24-10-8-7-9-22(20)24)15-25(33)27(28(34)35-30)36-26-13-19(3)21(17-32)14-23(26)29(4,5)6/h7-10,13-14,16,18,31-32,34H,11-12,15,17H2,1-6H3