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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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