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

Systemtic Name: 1-[1-benzothiophen-2-yl-(2-bromanyl-4,5-dimethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(2-bromo-4,5-dimethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(2-bromo-4,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-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=CC3=CC=CC=C3S2)N4CCCC4C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC3=CC=CC=C3S2)N4CCCC4C(=O)O)Br)OC

InChI

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