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

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(methylthio)benzyl]proline Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCCC2C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCCC2C(=O)O

InChI

InChI=1S/C13H17NO2S/c1-17-11-6-4-10(5-7-11)9-14-8-2-3-12(14)13(15)16/h4-7,12H,2-3,8-9H2,1H3,(H,15,16)