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

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

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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=C(C=C3)N)C(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)(C)C)SC2=C(O[C@](CC2=O)(CCC3=CC=C(C=C3)N)C(C)C)O

InChI

InChI=1S/C27H35NO3S/c1-17(2)27(14-13-19-8-10-20(28)11-9-19)16-22(29)24(25(30)31-27)32-23-15-18(3)7-12-21(23)26(4,5)6/h7-12,15,17,30H,13-14,16,28H2,1-6H3/t27-/m0/s1