1-[2,2-dimethyl-3-(phenylcarbonylsulfanyl)cyclopropyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2,2-dimethyl-3-(phenylcarbonylsulfanyl)cyclopropyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-(3-benzoylsulfanyl-2,2-dimethyl-cyclopropanecarbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[[3-(benzoylthio)-2,2-dimethylcyclopropyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-benzoylsulfanyl-2,2-dimethylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(benzoylthio)-2,2-dimethyl-cyclopropanecarbonyl]proline Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1SC(=O)C2=CC=CC=C2)C(=O)N3CCCC3C(=O)O)C

Isomeric SMILES

CC1(C(C1SC(=O)C2=CC=CC=C2)C(=O)N3CCCC3C(=O)O)C

InChI

InChI=1S/C18H21NO4S/c1-18(2)13(15(20)19-10-6-9-12(19)16(21)22)14(18)24-17(23)11-7-4-3-5-8-11/h3-5,7-8,12-14H,6,9-10H2,1-2H3,(H,21,22)