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

Systemtic Name: S-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-methyl-4-propanoyl-pyrrol-2-yl] ethanethioate Openeye Name: S-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-methyl-4-propanoyl-pyrrol-2-yl] ethanethioate CAS Name: ethanethioic acid S-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-methyl-4-(1-oxopropyl)-2-pyrrolyl] ester IUPAC Name: S-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-methyl-4-propanoylpyrrol-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-methyl-4-propionyl-pyrrol-2-yl] ester Formula: C24H33NO3S MolecularWeight: 415.58872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CN(C(=C1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SC(=O)C)C

Isomeric SMILES

CCC(=O)C1=CN(C(=C1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SC(=O)C)C

InChI

InChI=1S/C24H33NO3S/c1-10-19(27)16-13-25(9)22(29-14(2)26)20(16)15-11-17(23(3,4)5)21(28)18(12-15)24(6,7)8/h11-13,28H,10H2,1-9H3