1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(2-bromophenyl)methyl]proline Formula: C20H18BrNO2S MolecularWeight: 416.33142

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=CC=C2Br)C3=CSC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC=CC=C2Br)C3=CSC4=CC=CC=C43)C(=O)O

InChI

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