1-[(4-dimethylaminophenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-dimethylaminophenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-[4-(methylthio)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-[4-(methylthio)phenyl]methyl]proline Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2S/c1-22(2)17-10-6-15(7-11-17)20(16-8-12-18(26-3)13-9-16)23-14-4-5-19(23)21(24)25/h6-13,19-20H,4-5,14H2,1-3H3,(H,24,25)