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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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