1-[1-benzothiophen-2-yl-(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-2-yl-(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(3,4-dichlorophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(3,4-dichlorophenyl)methyl]proline Formula: C20H17Cl2NO2S MolecularWeight: 406.32548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17Cl2NO2S/c21-14-8-7-13(10-15(14)22)19(23-9-3-5-16(23)20(24)25)18-11-12-4-1-2-6-17(12)26-18/h1-2,4,6-8,10-11,16,19H,3,5,9H2,(H,24,25)