1-[4-(phenylcarbonylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(phenylcarbonylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(4-benzoylsulfanylbutanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[4-(benzoylthio)-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-benzoylsulfanylbutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(benzoylthio)butanoyl]proline Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCSC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CCCSC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H19NO4S/c18-14(17-10-4-8-13(17)15(19)20)9-5-11-22-16(21)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,19,20)