5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-6-oxidanyl-3H-pyran-4-one hydrochloride

Systemtic Name: 5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-6-oxidanyl-3H-pyran-4-one hydrochloride Openeye Name: 5-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-3H-pyran-4-one hydrochloride CAS Name: 5-[(4-amino-2-tert-butyl-5-methylphenyl)thio]-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-3H-pyran-4-one hydrochloride IUPAC Name: 5-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-3H-pyran-4-one hydrochloride Traditional Name: 5-[(4-amino-2-tert-butyl-5-methyl-phenyl)thio]-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-3H-pyran-4-one hydrochloride Formula: C25H32ClNO4S MolecularWeight: 478.04388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO4S.ClH/c1-15-12-21(18(13-19(15)26)24(2,3)4)31-22-20(28)14-25(5,30-23(22)29)11-10-16-6-8-17(27)9-7-16;/h6-9,12-13,27,29H,10-11,14,26H2,1-5H3;1H