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

Systemtic Name: S-[4-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propyl]-1-methyl-pyrrol-2-yl] ethanethioate Openeye Name: S-[4-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propyl]-1-methyl-pyrrol-2-yl] ethanethioate CAS Name: ethanethioic acid S-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-1-methyl-2-pyrrolyl] ester IUPAC Name: S-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-1-methylpyrrol-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[4-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propyl]-1-methyl-pyrrol-2-yl] ester Formula: C24H35NO2S MolecularWeight: 401.6052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=CC(=CN1C)CCCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(=O)SC1=CC(=CN1C)CCCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C24H35NO2S/c1-16(26)28-21-14-18(15-25(21)8)11-9-10-17-12-19(23(2,3)4)22(27)20(13-17)24(5,6)7/h12-15,27H,9-11H2,1-8H3