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

Systemtic Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 2-(3-chloranylphenoxy)ethanoate Openeye Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] 2-(3-chlorophenoxy)acetate CAS Name: 2-(3-chlorophenoxy)acetic acid [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] 2-(3-chlorophenoxy)acetate Traditional Name: 2-(3-chlorophenoxy)acetic acid [(3Z)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C20H15ClN2O4S MolecularWeight: 414.8621

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)COC(=O)COC3=CC(=CC=C3)Cl

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(/C#N)\C(=O)COC(=O)COC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H15ClN2O4S/c1-23-16-7-2-3-8-18(16)28-20(23)15(10-22)17(24)11-27-19(25)12-26-14-6-4-5-13(21)9-14/h2-9H,11-12H2,1H3/b20-15-