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

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

Systemtic Name:1-[1,3-benzothiazol-2-yl-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
Openeye Name:1-[1,3-benzothiazol-2-yl-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CAS Name:1-[1,3-benzothiazol-2-yl-[2-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid
IUPAC Name:1-[1,3-benzothiazol-2-yl-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
Traditional Name:1-[1,3-benzothiazol-2-yl-[2-(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=C2C(F)(F)F)C3=NC4=CC=CC=C4S3)C(=O)O


Isomeric SMILES

C1CC(N(C1)C(C2=CC=CC=C2C(F)(F)F)C3=NC4=CC=CC=C4S3)C(=O)O


InChI

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


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