1-[1-(4-methylsulfanylphenyl)-2-pyridin-2-yl-ethyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-(4-methylsulfanylphenyl)-2-pyridin-2-yl-ethyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1-(4-methylsulfanylphenyl)-2-(2-pyridyl)ethyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-[4-(methylthio)phenyl]-2-(2-pyridinyl)ethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-(4-methylsulfanylphenyl)-2-pyridin-2-ylethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1-[4-(methylthio)phenyl]-2-(2-pyridyl)ethyl]proline Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(CC2=CC=CC=N2)N3CCCC3C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(CC2=CC=CC=N2)N3CCCC3C(=O)O

InChI

InChI=1S/C19H22N2O2S/c1-24-16-9-7-14(8-10-16)18(13-15-5-2-3-11-20-15)21-12-4-6-17(21)19(22)23/h2-3,5,7-11,17-18H,4,6,12-13H2,1H3,(H,22,23)