1-[3-methylsulfanyl-2-(phenylcarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-methylsulfanyl-2-(phenylcarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-benzoylsulfanyl-3-methylsulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(benzoylthio)-3-(methylthio)-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-benzoylsulfanyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(benzoylthio)-3-(methylthio)propanoyl]proline Formula: C16H19NO4S2 MolecularWeight: 353.45636

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)N1CCCC1C(=O)O)SC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCC(C(=O)N1CCCC1C(=O)O)SC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H19NO4S2/c1-22-10-13(23-16(21)11-6-3-2-4-7-11)14(18)17-9-5-8-12(17)15(19)20/h2-4,6-7,12-13H,5,8-10H2,1H3,(H,19,20)