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

Systemtic Name: 4-methoxy-1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-benzoylsulfanyl-2-methyl-propanoyl)-4-methoxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(benzoylthio)-2-methyl-1-oxopropyl]-4-methoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-benzoylsulfanyl-2-methylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(benzoylthio)-2-methyl-propanoyl]-4-methoxy-proline Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CC(CC2C(=O)O)OC

Isomeric SMILES

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CC(CC2C(=O)O)OC

InChI

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