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

Systemtic Name: S-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-1-methyl-pyrrol-2-yl] ethanethioate Openeye Name: S-[4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1-methyl-pyrrol-2-yl] ethanethioate CAS Name: ethanethioic acid S-[4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]-1-methyl-2-pyrrolyl] ester IUPAC Name: S-[4-(3,5-ditert-butyl-4-hydroxybenzoyl)-1-methylpyrrol-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1-methyl-pyrrol-2-yl] ester Formula: C22H29NO3S MolecularWeight: 387.53556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=CC(=CN1C)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(=O)SC1=CC(=CN1C)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C22H29NO3S/c1-13(24)27-18-11-15(12-23(18)8)19(25)14-9-16(21(2,3)4)20(26)17(10-14)22(5,6)7/h9-12,26H,1-8H3