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

Systemtic Name: S-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-1H-pyrrol-2-yl] ethanethioate Openeye Name: S-[4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1H-pyrrol-2-yl] ethanethioate CAS Name: ethanethioic acid S-[4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]-1H-pyrrol-2-yl] ester IUPAC Name: S-[4-(3,5-ditert-butyl-4-hydroxybenzoyl)-1H-pyrrol-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1H-pyrrol-2-yl] ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=CC(=CN1)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(=O)SC1=CC(=CN1)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C21H27NO3S/c1-12(23)26-17-10-14(11-22-17)18(24)13-8-15(20(2,3)4)19(25)16(9-13)21(5,6)7/h8-11,22,25H,1-7H3