ethyl 3-[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]propanoate

Systemtic Name: ethyl 3-[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]propanoate Openeye Name: ethyl 3-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)propionic acid ethyl ester Formula: C12H10F3NO2S MolecularWeight: 289.27351

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=NC2=C(C(=CC(=C2S1)F)F)F

Isomeric SMILES

CCOC(=O)CCC1=NC2=C(C(=CC(=C2S1)F)F)F

InChI

InChI=1S/C12H10F3NO2S/c1-2-18-9(17)4-3-8-16-11-10(15)6(13)5-7(14)12(11)19-8/h5H,2-4H2,1H3