1-[3-methoxy-2-(phenylcarbonylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-methoxy-2-(phenylcarbonylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-benzoylsulfanyl-3-methoxy-butanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(benzoylthio)-3-methoxy-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-benzoylsulfanyl-3-methoxybutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(benzoylthio)-3-methoxy-butanoyl]proline Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5S/c1-11(23-2)14(24-17(22)12-7-4-3-5-8-12)15(19)18-10-6-9-13(18)16(20)21/h3-5,7-8,11,13-14H,6,9-10H2,1-2H3,(H,20,21)