1-(4-methylsulfanylphenyl)carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-(4-methylsulfanylphenyl)carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-(4-methylsulfanylbenzoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-methylsulfanylbenzoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(methylthio)benzoyl]proline Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C13H15NO3S/c1-18-10-6-4-9(5-7-10)12(15)14-8-2-3-11(14)13(16)17/h4-7,11H,2-3,8H2,1H3,(H,16,17)