3-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)pyrrolidin-1-yl]-3-oxidanylidene-propanethial

Systemtic Name: 3-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)pyrrolidin-1-yl]-3-oxidanylidene-propanethial Openeye Name: 3-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)pyrrolidin-1-yl]-3-oxo-propanethial CAS Name: 3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-pyrrolidinyl]-3-oxopropanethial IUPAC Name: 3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrolidin-1-yl]-3-oxopropanethial Traditional Name: 3-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)pyrrolidino]-3-keto-thiopropionaldehyde Formula: C21H31NO2S MolecularWeight: 361.54134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2CCCN2C(=O)CC=S

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2CCCN2C(=O)CC=S

InChI

InChI=1S/C21H31NO2S/c1-20(2,3)15-12-14(13-16(19(15)24)21(4,5)6)17-8-7-10-22(17)18(23)9-11-25/h11-13,17,24H,7-10H2,1-6H3