1-[(4-methylsulfanylphenyl)-pyridin-3-yl-methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-methylsulfanylphenyl)-pyridin-3-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(3-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-(3-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-(3-pyridyl)methyl]proline Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CN=CC=C2)N3CCCC3C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CN=CC=C2)N3CCCC3C(=O)O

InChI

InChI=1S/C18H20N2O2S/c1-23-15-8-6-13(7-9-15)17(14-4-2-10-19-12-14)20-11-3-5-16(20)18(21)22/h2,4,6-10,12,16-17H,3,5,11H2,1H3,(H,21,22)