[(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 2-(4-cyanophenoxy)ethanoate

Systemtic Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 2-(4-cyanophenoxy)ethanoate Openeye Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] 2-(4-cyanophenoxy)acetate CAS Name: 2-(4-cyanophenoxy)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-(4-cyanophenoxy)acetate Traditional Name: 2-(4-cyanophenoxy)acetic acid [(3Z)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O4S/c1-24-17-4-2-3-5-19(17)29-21(24)16(11-23)18(25)12-28-20(26)13-27-15-8-6-14(10-22)7-9-15/h2-9H,12-13H2,1H3/b21-16-