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

Systemtic Name: S-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-1-ethyl-pyrrol-2-yl] ethanethioate Openeye Name: S-[4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1-ethyl-pyrrol-2-yl] ethanethioate CAS Name: ethanethioic acid S-[4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]-1-ethyl-2-pyrrolyl] ester IUPAC Name: S-[4-(3,5-ditert-butyl-4-hydroxybenzoyl)-1-ethylpyrrol-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1-ethyl-pyrrol-2-yl] ester Formula: C23H31NO3S MolecularWeight: 401.56214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=C1SC(=O)C)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCN1C=C(C=C1SC(=O)C)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C23H31NO3S/c1-9-24-13-16(12-19(24)28-14(2)25)20(26)15-10-17(22(3,4)5)21(27)18(11-15)23(6,7)8/h10-13,27H,9H2,1-8H3