[(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 2-(2-fluoranylphenoxy)ethanoate

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 2-(2-fluoranylphenoxy)ethanoate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] 2-(2-fluorophenoxy)acetate CAS Name: 2-(2-fluorophenoxy)acetic acid [(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] 2-(2-fluorophenoxy)acetate Traditional Name: 2-(2-fluorophenoxy)acetic acid [(3E)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C20H15FN2O4S MolecularWeight: 398.407503

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)COC(=O)COC3=CC=CC=C3F

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(\C#N)/C(=O)COC(=O)COC3=CC=CC=C3F

InChI

InChI=1S/C20H15FN2O4S/c1-23-15-7-3-5-9-18(15)28-20(23)13(10-22)16(24)11-27-19(25)12-26-17-8-4-2-6-14(17)21/h2-9H,11-12H2,1H3/b20-13+