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

Systemtic Name: S-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-1H-pyrrol-2-yl] propanethioate Openeye Name: S-[4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1H-pyrrol-2-yl] propanethioate CAS Name: propanethioic 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] propanethioate Traditional Name: propanethioic acid S-[4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1H-pyrrol-2-yl] ester Formula: C22H29NO3S MolecularWeight: 387.53556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO3S/c1-8-18(24)27-17-11-14(12-23-17)19(25)13-9-15(21(2,3)4)20(26)16(10-13)22(5,6)7/h9-12,23,26H,8H2,1-7H3