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

Systemtic Name: S-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-1-propan-2-yl-pyrrol-2-yl] ethanethioate Openeye Name: S-[4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1-isopropyl-pyrrol-2-yl] ethanethioate CAS Name: ethanethioic acid S-[4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]-1-propan-2-yl-2-pyrrolyl] ester IUPAC Name: S-[4-(3,5-ditert-butyl-4-hydroxybenzoyl)-1-propan-2-ylpyrrol-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1-isopropyl-pyrrol-2-yl] ester Formula: C24H33NO3S MolecularWeight: 415.58872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=C1SC(=O)C)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(C)N1C=C(C=C1SC(=O)C)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C24H33NO3S/c1-14(2)25-13-17(12-20(25)29-15(3)26)21(27)16-10-18(23(4,5)6)22(28)19(11-16)24(7,8)9/h10-14,28H,1-9H3