4-[(2-chlorophenyl)methylsulfanyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-[(2-chlorophenyl)methylsulfanyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-[(2-chlorophenyl)methylsulfanyl]pyrrolidine-2-carboxylic acid CAS Name: 4-[(2-chlorophenyl)methylthio]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-[(2-chlorophenyl)methylsulfanyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-[(2-chlorobenzyl)thio]proline Formula: C12H14ClNO2S MolecularWeight: 271.76306

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(=O)O)SCC2=CC=CC=C2Cl

Isomeric SMILES

C1C(CNC1C(=O)O)SCC2=CC=CC=C2Cl

InChI

InChI=1S/C12H14ClNO2S/c13-10-4-2-1-3-8(10)7-17-9-5-11(12(15)16)14-6-9/h1-4,9,11,14H,5-7H2,(H,15,16)