(3,5-ditert-butyl-4-oxidanyl-phenyl) 1-propanoyl-3-sulfanylidene-pyrrolidine-2-carboxylate

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl) 1-propanoyl-3-sulfanylidene-pyrrolidine-2-carboxylate Openeye Name: (3,5-ditert-butyl-4-hydroxy-phenyl) 1-propanoyl-3-thioxo-pyrrolidine-2-carboxylate CAS Name: 1-(1-oxopropyl)-3-sulfanylidene-2-pyrrolidinecarboxylic acid (3,5-ditert-butyl-4-hydroxyphenyl) ester IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl) 1-propanoyl-3-sulfanylidenepyrrolidine-2-carboxylate Traditional Name: 1-propionyl-3-thioxo-pyrrolidine-2-carboxylic acid (3,5-ditert-butyl-4-hydroxy-phenyl) ester Formula: C22H31NO4S MolecularWeight: 405.55084

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC(=S)C1C(=O)OC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCC(=O)N1CCC(=S)C1C(=O)OC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C22H31NO4S/c1-8-17(24)23-10-9-16(28)18(23)20(26)27-13-11-14(21(2,3)4)19(25)15(12-13)22(5,6)7/h11-12,18,25H,8-10H2,1-7H3