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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(5-bromanylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(5-bromo-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(5-bromo-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(5-bromothiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(5-bromo-2-thienyl)methyl]proline Formula: C17H15BrN2O2S2 MolecularWeight: 423.3472

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=C(S2)Br)C3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC=C(S2)Br)C3=NC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C17H15BrN2O2S2/c18-14-8-7-13(23-14)15(20-9-3-5-11(20)17(21)22)16-19-10-4-1-2-6-12(10)24-16/h1-2,4,6-8,11,15H,3,5,9H2,(H,21,22)