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

Systemtic Name: S-[4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-1H-pyrrol-2-yl] ethanethioate Openeye Name: S-[4-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-1H-pyrrol-2-yl] ethanethioate CAS Name: ethanethioic acid S-[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1H-pyrrol-2-yl] ester IUPAC Name: S-[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1H-pyrrol-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[4-(3,5-ditert-butyl-4-hydroxy-benzyl)-1H-pyrrol-2-yl] ester Formula: C21H29NO2S MolecularWeight: 359.52546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=CC(=CN1)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(=O)SC1=CC(=CN1)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C21H29NO2S/c1-13(23)25-18-11-15(12-22-18)8-14-9-16(20(2,3)4)19(24)17(10-14)21(5,6)7/h9-12,22,24H,8H2,1-7H3