1-[4-oxidanylidene-4-phenyl-3-(phenylcarbonylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-oxidanylidene-4-phenyl-3-(phenylcarbonylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-benzoylsulfanyl-4-oxo-4-phenyl-butanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(benzoylthio)-1,4-dioxo-4-phenylbutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-benzoylsulfanyl-4-oxo-4-phenylbutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(benzoylthio)-4-keto-4-phenyl-butanoyl]proline Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC(C(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CC(C(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H21NO5S/c24-19(23-13-7-12-17(23)21(26)27)14-18(20(25)15-8-3-1-4-9-15)29-22(28)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2,(H,26,27)