3-(4-methylphenyl)sulfanylpyrrolidine-1-carboxylic acid

Systemtic Name: 3-(4-methylphenyl)sulfanylpyrrolidine-1-carboxylic acid Openeye Name: 3-(p-tolylsulfanyl)pyrrolidine-1-carboxylic acid CAS Name: 3-[(4-methylphenyl)thio]-1-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-methylphenyl)sulfanylpyrrolidine-1-carboxylic acid Traditional Name: 3-(p-tolylthio)pyrrolidine-1-carboxylic acid Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2CCN(C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2CCN(C2)C(=O)O

InChI

InChI=1S/C12H15NO2S/c1-9-2-4-10(5-3-9)16-11-6-7-13(8-11)12(14)15/h2-5,11H,6-8H2,1H3,(H,14,15)