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

Systemtic Name: 1-[1-benzothiophen-2-yl-(4-bromophenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(4-bromophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(4-bromophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(4-bromophenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(4-bromophenyl)methyl]proline Formula: C20H18BrNO2S MolecularWeight: 416.33142

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=C(C=C2)Br)C3=CC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC=C(C=C2)Br)C3=CC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C20H18BrNO2S/c21-15-9-7-13(8-10-15)19(22-11-3-5-16(22)20(23)24)18-12-14-4-1-2-6-17(14)25-18/h1-2,4,6-10,12,16,19H,3,5,11H2,(H,23,24)