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

Systemtic Name: S-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-5-ethanoylsulfanyl-1H-pyrrol-2-yl] ethanethioate Openeye Name: S-[5-acetylsulfanyl-4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1H-pyrrol-2-yl] ethanethioate CAS Name: ethanethioic acid S-[5-(acetylthio)-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]-1H-pyrrol-2-yl] ester IUPAC Name: S-[5-acetylsulfanyl-4-(3,5-ditert-butyl-4-hydroxybenzoyl)-1H-pyrrol-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[5-(acetylthio)-4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1H-pyrrol-2-yl] ester Formula: C23H29NO4S2 MolecularWeight: 447.61066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=CC(=C(N1)SC(=O)C)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(=O)SC1=CC(=C(N1)SC(=O)C)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C23H29NO4S2/c1-12(25)29-18-11-15(21(24-18)30-13(2)26)19(27)14-9-16(22(3,4)5)20(28)17(10-14)23(6,7)8/h9-11,24,28H,1-8H3