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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-[4-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-[4-(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=C(C=C2)C(F)(F)F)C3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

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

InChI

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