1-[1,3-benzothiazol-2-yl-(4-bromophenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(4-bromophenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(4-bromophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(4-bromophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(4-bromophenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(4-bromophenyl)methyl]proline Formula: C19H17BrN2O2S MolecularWeight: 417.31948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=C(C=C2)Br)C3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC=C(C=C2)Br)C3=NC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C19H17BrN2O2S/c20-13-9-7-12(8-10-13)17(22-11-3-5-15(22)19(23)24)18-21-14-4-1-2-6-16(14)25-18/h1-2,4,6-10,15,17H,3,5,11H2,(H,23,24)