1-[3,3-diethyl-2-(phenylcarbonylsulfanyl)cyclopentyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3,3-diethyl-2-(phenylcarbonylsulfanyl)cyclopentyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-(2-benzoylsulfanyl-3,3-diethyl-cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[[2-(benzoylthio)-3,3-diethylcyclopentyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-benzoylsulfanyl-3,3-diethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(benzoylthio)-3,3-diethyl-cyclopentanecarbonyl]proline Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(C1SC(=O)C2=CC=CC=C2)C(=O)N3CCCC3C(=O)O)CC

Isomeric SMILES

CCC1(CCC(C1SC(=O)C2=CC=CC=C2)C(=O)N3CCCC3C(=O)O)CC

InChI

InChI=1S/C22H29NO4S/c1-3-22(4-2)13-12-16(19(24)23-14-8-11-17(23)20(25)26)18(22)28-21(27)15-9-6-5-7-10-15/h5-7,9-10,16-18H,3-4,8,11-14H2,1-2H3,(H,25,26)