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

Systemtic Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 3-phenoxypropanoate Openeye Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] 3-phenoxypropanoate CAS Name: 3-phenoxypropanoic 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] 3-phenoxypropanoate Traditional Name: 3-phenoxypropionic acid [(3Z)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)COC(=O)CCOC3=CC=CC=C3

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(/C#N)\C(=O)COC(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O4S/c1-23-17-9-5-6-10-19(17)28-21(23)16(13-22)18(24)14-27-20(25)11-12-26-15-7-3-2-4-8-15/h2-10H,11-12,14H2,1H3/b21-16-