ethyl 2-(1,3-benzothiazol-2-ylimino)-3,3,3-tris(fluoranyl)propanoate

Systemtic Name: ethyl 2-(1,3-benzothiazol-2-ylimino)-3,3,3-tris(fluoranyl)propanoate Openeye Name: ethyl 2-(1,3-benzothiazol-2-ylimino)-3,3,3-trifluoro-propanoate CAS Name: 2-(1,3-benzothiazol-2-ylimino)-3,3,3-trifluoropropanoic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzothiazol-2-ylimino)-3,3,3-trifluoropropanoate Traditional Name: 2-(1,3-benzothiazol-2-ylimino)-3,3,3-trifluoro-propionic acid ethyl ester Formula: C12H9F3N2O2S MolecularWeight: 302.27227

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NC1=NC2=CC=CC=C2S1)C(F)(F)F

Isomeric SMILES

CCOC(=O)C(=NC1=NC2=CC=CC=C2S1)C(F)(F)F

InChI

InChI=1S/C12H9F3N2O2S/c1-2-19-10(18)9(12(13,14)15)17-11-16-7-5-3-4-6-8(7)20-11/h3-6H,2H2,1H3