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

Systemtic Name: S-[4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-2-ethanoylsulfanyl-1-ethyl-pyrrol-3-yl] ethanethioate Openeye Name: S-[2-acetylsulfanyl-4-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-1-ethyl-pyrrol-3-yl] ethanethioate CAS Name: ethanethioic acid S-[2-(acetylthio)-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1-ethyl-3-pyrrolyl] ester IUPAC Name: S-[2-acetylsulfanyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1-ethylpyrrol-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[2-(acetylthio)-4-(3,5-ditert-butyl-4-hydroxy-benzyl)-1-ethyl-pyrrol-3-yl] ester Formula: C25H35NO3S2 MolecularWeight: 461.6803

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=C1SC(=O)C)SC(=O)C)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCN1C=C(C(=C1SC(=O)C)SC(=O)C)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C25H35NO3S2/c1-10-26-14-18(22(30-15(2)27)23(26)31-16(3)28)11-17-12-19(24(4,5)6)21(29)20(13-17)25(7,8)9/h12-14,29H,10-11H2,1-9H3