1-[1-benzothiophen-2-yl-[2,3-bis(chloranyl)phenyl]methyl]pyrrolidine-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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