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

Systemtic Name: S-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-2,5-bis(ethanoylsulfanyl)-1H-pyrrol-3-yl] ethanethioate Openeye Name: S-[2,5-bis(acetylsulfanyl)-4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1H-pyrrol-3-yl] ethanethioate CAS Name: ethanethioic acid S-[2,5-bis(acetylthio)-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]-1H-pyrrol-3-yl] ester IUPAC Name: S-[2,5-bis(acetylsulfanyl)-4-(3,5-ditert-butyl-4-hydroxybenzoyl)-1H-pyrrol-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[2,5-bis(acetylthio)-4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1H-pyrrol-3-yl] ester Formula: C25H31NO5S3 MolecularWeight: 521.71234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=C(NC(=C1C(=O)C2=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(=C1C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SC(=O)C)SC(=O)C

InChI

InChI=1S/C25H31NO5S3/c1-12(27)32-21-18(22(33-13(2)28)26-23(21)34-14(3)29)19(30)15-10-16(24(4,5)6)20(31)17(11-15)25(7,8)9/h10-11,26,31H,1-9H3