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

Systemtic Name: 1-[3,3-dibutyl-2-(phenylcarbonylsulfanyl)cyclopentyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-(2-benzoylsulfanyl-3,3-dibutyl-cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[[2-(benzoylthio)-3,3-dibutylcyclopentyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-benzoylsulfanyl-3,3-dibutylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(benzoylthio)-3,3-dibutyl-cyclopentanecarbonyl]proline Formula: C26H37NO4S MolecularWeight: 459.64128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCC(C1SC(=O)C2=CC=CC=C2)C(=O)N3CCCC3C(=O)O)CCCC

Isomeric SMILES

CCCCC1(CCC(C1SC(=O)C2=CC=CC=C2)C(=O)N3CCCC3C(=O)O)CCCC

InChI

InChI=1S/C26H37NO4S/c1-3-5-15-26(16-6-4-2)17-14-20(23(28)27-18-10-13-21(27)24(29)30)22(26)32-25(31)19-11-8-7-9-12-19/h7-9,11-12,20-22H,3-6,10,13-18H2,1-2H3,(H,29,30)