1-[1-benzothiophen-3-yl-(2-bromanyl-4,5-dimethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(2-bromanyl-4,5-dimethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(2-bromo-4,5-dimethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(2-bromo-4,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(2-bromo-4,5-dimethoxy-phenyl)methyl]proline Formula: C22H22BrNO4S MolecularWeight: 476.38338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O)Br)OC

InChI

InChI=1S/C22H22BrNO4S/c1-27-18-10-14(16(23)11-19(18)28-2)21(24-9-5-7-17(24)22(25)26)15-12-29-20-8-4-3-6-13(15)20/h3-4,6,8,10-12,17,21H,5,7,9H2,1-2H3,(H,25,26)