4-[(E)-2-cyano-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethenyl]benzoate

Systemtic Name: 4-[(E)-2-cyano-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethenyl]benzoate Openeye Name: 4-[(E)-2-cyano-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]vinyl]benzoate CAS Name: 4-[(E)-2-cyano-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethenyl]benzoate IUPAC Name: 4-[(E)-2-cyano-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethenyl]benzoate Traditional Name: 4-[(E)-2-cyano-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]vinyl]benzoate Formula: C18H8F3N2O2S- MolecularWeight: 373.32853

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C2=NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C(\C#N)/C2=NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C18H9F3N2O2S/c19-18(20,21)13-5-6-15-14(8-13)23-16(26-15)12(9-22)7-10-1-3-11(4-2-10)17(24)25/h1-8H,(H,24,25)/p-1/b12-7+