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

Systemtic Name: 1-[(4-bromophenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-bromophenyl)-[4-(methylthio)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-[4-(methylthio)phenyl]methyl]proline Formula: C19H20BrNO2S MolecularWeight: 406.3366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO2S/c1-24-16-10-6-14(7-11-16)18(13-4-8-15(20)9-5-13)21-12-2-3-17(21)19(22)23/h4-11,17-18H,2-3,12H2,1H3,(H,22,23)