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

Systemtic Name: 1-[2-methyl-4-(phenylcarbonylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(4-benzoylsulfanyl-2-methyl-butanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[4-(benzoylthio)-2-methyl-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-benzoylsulfanyl-2-methylbutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(benzoylthio)-2-methyl-butanoyl]proline Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCSC(=O)C1=CC=CC=C1)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(CCSC(=O)C1=CC=CC=C1)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C17H21NO4S/c1-12(15(19)18-10-5-8-14(18)16(20)21)9-11-23-17(22)13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,20,21)