1-[1-ethyl-2-(phenylcarbonylsulfanyl)cyclopentyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-ethyl-2-(phenylcarbonylsulfanyl)cyclopentyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-(2-benzoylsulfanyl-1-ethyl-cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[[2-(benzoylthio)-1-ethylcyclopentyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-benzoylsulfanyl-1-ethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(benzoylthio)-1-ethyl-cyclopentanecarbonyl]proline Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCC1SC(=O)C2=CC=CC=C2)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

CCC1(CCCC1SC(=O)C2=CC=CC=C2)C(=O)N3CCCC3C(=O)O

InChI

InChI=1S/C20H25NO4S/c1-2-20(19(25)21-13-7-10-15(21)17(22)23)12-6-11-16(20)26-18(24)14-8-4-3-5-9-14/h3-5,8-9,15-16H,2,6-7,10-13H2,1H3,(H,22,23)