S-[4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-2,5-bis(ethanoylsulfanyl)-1H-pyrrol-3-yl] ethanethioate

Systemtic Name: S-[4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-2,5-bis(ethanoylsulfanyl)-1H-pyrrol-3-yl] ethanethioate Openeye Name: S-[2,5-bis(acetylsulfanyl)-4-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-1H-pyrrol-3-yl] ethanethioate CAS Name: ethanethioic acid S-[2,5-bis(acetylthio)-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1H-pyrrol-3-yl] ester IUPAC Name: S-[2,5-bis(acetylsulfanyl)-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1H-pyrrol-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[2,5-bis(acetylthio)-4-(3,5-ditert-butyl-4-hydroxy-benzyl)-1H-pyrrol-3-yl] ester Formula: C25H33NO4S3 MolecularWeight: 507.72882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=C(NC(=C1CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SC(=O)C)SC(=O)C

Isomeric SMILES

CC(=O)SC1=C(NC(=C1CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SC(=O)C)SC(=O)C

InChI

InChI=1S/C25H33NO4S3/c1-13(27)31-21-17(22(32-14(2)28)26-23(21)33-15(3)29)10-16-11-18(24(4,5)6)20(30)19(12-16)25(7,8)9/h11-12,26,30H,10H2,1-9H3