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

Systemtic Name: 1-[3-(4-methoxyphenyl)carbonylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-(4-methoxybenzoyl)sulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-[[(4-methoxyphenyl)-oxomethyl]thio]-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-(4-methoxybenzoyl)sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-methyl-3-(p-anisoylthio)propanoyl]proline Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=C(C=C1)OC)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(CSC(=O)C1=CC=C(C=C1)OC)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C17H21NO5S/c1-11(15(19)18-9-3-4-14(18)16(20)21)10-24-17(22)12-5-7-13(23-2)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,20,21)