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

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-bromophenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(3-bromophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3-bromophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3-bromophenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(3-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=C2)Br)C3=CSC4=CC=CC=C43)C(=O)O

Isomeric SMILES

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

InChI

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