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

Systemtic Name: 5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-[2-(1H-indol-5-yl)ethyl]-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 5-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-hydroxy-2-[2-(1H-indol-5-yl)ethyl]-2-isopropyl-3H-pyran-4-one CAS Name: 5-[(4-amino-2-tert-butyl-5-methylphenyl)thio]-6-hydroxy-2-[2-(1H-indol-5-yl)ethyl]-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 5-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-6-hydroxy-2-[2-(1H-indol-5-yl)ethyl]-2-propan-2-yl-3H-pyran-4-one Traditional Name: 5-[(4-amino-2-tert-butyl-5-methyl-phenyl)thio]-6-hydroxy-2-[2-(1H-indol-5-yl)ethyl]-2-isopropyl-3H-pyran-4-one Formula: C29H36N2O3S MolecularWeight: 492.67274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC4=C(C=C3)NC=C4)C(C)C)O)C(C)(C)C)N

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC4=C(C=C3)NC=C4)C(C)C)O)C(C)(C)C)N

InChI

InChI=1S/C29H36N2O3S/c1-17(2)29(11-9-19-7-8-23-20(14-19)10-12-31-23)16-24(32)26(27(33)34-29)35-25-13-18(3)22(30)15-21(25)28(4,5)6/h7-8,10,12-15,17,31,33H,9,11,16,30H2,1-6H3