(2S,3R)-3-[(4-methylphenyl)methylsulfanyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,3R)-3-[(4-methylphenyl)methylsulfanyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S,3R)-3-(p-tolylmethylsulfanyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,3R)-3-[(4-methylphenyl)methylthio]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,3R)-3-[(4-methylphenyl)methylsulfanyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S,3R)-3-[(4-methylbenzyl)thio]proline Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2CCNC2C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CS[C@@H]2CCN[C@H]2C(=O)O

InChI

InChI=1S/C13H17NO2S/c1-9-2-4-10(5-3-9)8-17-11-6-7-14-12(11)13(15)16/h2-5,11-12,14H,6-8H2,1H3,(H,15,16)/t11-,12-/m1/s1