5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-oxidanyl-2-phenethyl-2-phenyl-3H-pyran-4-one

Systemtic Name: 5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-oxidanyl-2-phenethyl-2-phenyl-3H-pyran-4-one Openeye Name: 5-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-hydroxy-2-phenethyl-2-phenyl-3H-pyran-4-one CAS Name: 5-[(4-amino-2-tert-butyl-5-methylphenyl)thio]-6-hydroxy-2-phenethyl-2-phenyl-3H-pyran-4-one IUPAC Name: 5-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-6-hydroxy-2-phenethyl-2-phenyl-3H-pyran-4-one Traditional Name: 5-[(4-amino-2-tert-butyl-5-methyl-phenyl)thio]-6-hydroxy-2-phenethyl-2-phenyl-3H-pyran-4-one Formula: C30H33NO3S MolecularWeight: 487.65292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33NO3S/c1-20-17-26(23(18-24(20)31)29(2,3)4)35-27-25(32)19-30(34-28(27)33,22-13-9-6-10-14-22)16-15-21-11-7-5-8-12-21/h5-14,17-18,33H,15-16,19,31H2,1-4H3