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

Systemtic Name: S-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-1-(phenylmethyl)pyrrol-2-yl] ethanethioate Openeye Name: S-[1-benzyl-4-(3,5-ditert-butyl-4-hydroxy-benzoyl)pyrrol-2-yl] ethanethioate CAS Name: ethanethioic acid S-[4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]-1-(phenylmethyl)-2-pyrrolyl] ester IUPAC Name: S-[1-benzyl-4-(3,5-ditert-butyl-4-hydroxybenzoyl)pyrrol-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-benzyl-4-(3,5-ditert-butyl-4-hydroxy-benzoyl)pyrrol-2-yl] ester Formula: C28H33NO3S MolecularWeight: 463.63152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=CC(=CN1CC2=CC=CC=C2)C(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(=O)SC1=CC(=CN1CC2=CC=CC=C2)C(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C28H33NO3S/c1-18(30)33-24-15-21(17-29(24)16-19-11-9-8-10-12-19)25(31)20-13-22(27(2,3)4)26(32)23(14-20)28(5,6)7/h8-15,17,32H,16H2,1-7H3