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

Systemtic Name: 4-methyl-1-[3-(phenylcarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-benzoylsulfanylpropanoyl)-4-methyl-pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(benzoylthio)-1-oxopropyl]-4-methyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-benzoylsulfanylpropanoyl)-4-methylpyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(benzoylthio)propanoyl]-4-methyl-proline Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(C1)C(=O)CCSC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1CC(N(C1)C(=O)CCSC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H19NO4S/c1-11-9-13(15(19)20)17(10-11)14(18)7-8-22-16(21)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,19,20)