(phenylmethyl) 3-(1,3-benzothiazol-2-yl)-2-(trifluoromethylsulfonyloxy)propanoate

Systemtic Name: (phenylmethyl) 3-(1,3-benzothiazol-2-yl)-2-(trifluoromethylsulfonyloxy)propanoate Openeye Name: benzyl 3-(1,3-benzothiazol-2-yl)-2-(trifluoromethylsulfonyloxy)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-(trifluoromethylsulfonyloxy)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1,3-benzothiazol-2-yl)-2-(trifluoromethylsulfonyloxy)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)-2-triflyloxy-propionic acid benzyl ester Formula: C18H14F3NO5S2 MolecularWeight: 445.43267

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=NC3=CC=CC=C3S2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CC2=NC3=CC=CC=C3S2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C18H14F3NO5S2/c19-18(20,21)29(24,25)27-14(17(23)26-11-12-6-2-1-3-7-12)10-16-22-13-8-4-5-9-15(13)28-16/h1-9,14H,10-11H2