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

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl) [1-(3-sulfanylidenepropanoyl)pyrrolidin-2-yl] carbonate Openeye Name: (3,5-ditert-butyl-4-hydroxy-phenyl) [1-(3-thioxopropanoyl)pyrrolidin-2-yl] carbonate CAS Name: carbonic acid (3,5-ditert-butyl-4-hydroxyphenyl) [1-(1-oxo-3-sulfanylidenepropyl)-2-pyrrolidinyl] ester IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl) [1-(3-sulfanylidenepropanoyl)pyrrolidin-2-yl] carbonate Traditional Name: carbonic acid (3,5-ditert-butyl-4-hydroxy-phenyl) [1-(3-thioxopropanoyl)pyrrolidin-2-yl] ester Formula: C22H31NO5S MolecularWeight: 421.55024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)OC(=O)OC2CCCN2C(=O)CC=S

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)OC(=O)OC2CCCN2C(=O)CC=S

InChI

InChI=1S/C22H31NO5S/c1-21(2,3)15-12-14(13-16(19(15)25)22(4,5)6)27-20(26)28-18-8-7-10-23(18)17(24)9-11-29/h11-13,18,25H,7-10H2,1-6H3