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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC(=S)C1(C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)O

Isomeric SMILES

CCC(=O)N1CCC(=S)C1(C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)O

InChI

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