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

Systemtic Name: 1-[(2-bromophenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-bromophenyl)-[4-(methylthio)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2-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=CC=C2Br)N3CCCC3C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=CC=C2Br)N3CCCC3C(=O)O

InChI

InChI=1S/C19H20BrNO2S/c1-24-14-10-8-13(9-11-14)18(15-5-2-3-6-16(15)20)21-12-4-7-17(21)19(22)23/h2-3,5-6,8-11,17-18H,4,7,12H2,1H3,(H,22,23)