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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-[3-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-[3-(trifluoromethyl)phenyl]methyl]proline Formula: C20H17F3N2O2S MolecularWeight: 406.42139

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17F3N2O2S/c21-20(22,23)13-6-3-5-12(11-13)17(25-10-4-8-15(25)19(26)27)18-24-14-7-1-2-9-16(14)28-18/h1-3,5-7,9,11,15,17H,4,8,10H2,(H,26,27)