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

Systemtic Name: 1-[1-benzothiophen-3-yl-(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3,4-dichlorophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-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=CSC4=CC=CC=C43)C(=O)O

Isomeric SMILES

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

InChI

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