1-[(5-methylpyridin-2-yl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-methylpyridin-2-yl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-methyl-2-pyridyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-methyl-2-pyridinyl)-[4-(methylthio)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-methylpyridin-2-yl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-methyl-2-pyridyl)-[4-(methylthio)phenyl]methyl]proline Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=CC=C(C=C2)SC)N3CCCC3C(=O)O

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CC=C(C=C2)SC)N3CCCC3C(=O)O

InChI

InChI=1S/C19H22N2O2S/c1-13-5-10-16(20-12-13)18(14-6-8-15(24-2)9-7-14)21-11-3-4-17(21)19(22)23/h5-10,12,17-18H,3-4,11H2,1-2H3,(H,22,23)