1-[(5-bromanylthiophen-2-yl)-(3-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(3-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-chlorophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(3-chlorophenyl)methyl]proline Formula: C16H15BrClNO2S MolecularWeight: 400.7178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC(=CC=C2)Cl)C3=CC=C(S3)Br)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC(=CC=C2)Cl)C3=CC=C(S3)Br)C(=O)O

InChI

InChI=1S/C16H15BrClNO2S/c17-14-7-6-13(22-14)15(10-3-1-4-11(18)9-10)19-8-2-5-12(19)16(20)21/h1,3-4,6-7,9,12,15H,2,5,8H2,(H,20,21)