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

Systemtic Name: methyl 4-[2-cyano-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethenyl]benzoate Openeye Name: methyl 4-[2-cyano-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]vinyl]benzoate CAS Name: 4-[2-cyano-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-cyano-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethenyl]benzoate Traditional Name: 4-[2-cyano-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]vinyl]benzoic acid methyl ester Formula: C19H11F3N2O2S MolecularWeight: 388.36305

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C(C#N)C2=NC3=C(S2)C=CC(=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C=C(C#N)C2=NC3=C(S2)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H11F3N2O2S/c1-26-18(25)12-4-2-11(3-5-12)8-13(10-23)17-24-15-9-14(19(20,21)22)6-7-16(15)27-17/h2-9H,1H3