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

Systemtic Name: S-[1-butyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-pyrrol-2-yl] ethanethioate Openeye Name: S-[1-butyl-4-(3,5-ditert-butyl-4-hydroxy-benzoyl)pyrrol-2-yl] ethanethioate CAS Name: ethanethioic acid S-[1-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]-2-pyrrolyl] ester IUPAC Name: S-[1-butyl-4-(3,5-ditert-butyl-4-hydroxybenzoyl)pyrrol-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-butyl-4-(3,5-ditert-butyl-4-hydroxy-benzoyl)pyrrol-2-yl] ester Formula: C25H35NO3S MolecularWeight: 429.6153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C=C1SC(=O)C)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCN1C=C(C=C1SC(=O)C)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C25H35NO3S/c1-9-10-11-26-15-18(14-21(26)30-16(2)27)22(28)17-12-19(24(3,4)5)23(29)20(13-17)25(6,7)8/h12-15,29H,9-11H2,1-8H3