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

Systemtic Name: 5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-oxidanyl-2-phenethyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 5-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-hydroxy-2-isopropyl-2-phenethyl-3H-pyran-4-one CAS Name: 5-[(4-amino-2-tert-butyl-5-methylphenyl)thio]-6-hydroxy-2-phenethyl-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 5-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-6-hydroxy-2-phenethyl-2-propan-2-yl-3H-pyran-4-one Traditional Name: 5-[(4-amino-2-tert-butyl-5-methyl-phenyl)thio]-6-hydroxy-2-isopropyl-2-phenethyl-3H-pyran-4-one Formula: C27H35NO3S MolecularWeight: 453.6367

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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)C(C)C)O)C(C)(C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C27H35NO3S/c1-17(2)27(13-12-19-10-8-7-9-11-19)16-22(29)24(25(30)31-27)32-23-14-18(3)21(28)15-20(23)26(4,5)6/h7-11,14-15,17,30H,12-13,16,28H2,1-6H3