[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl] 3-phenylpropanoate

Systemtic Name: [(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl] 3-phenylpropanoate Openeye Name: [(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxo-propyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl] ester IUPAC Name: [(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-keto-propyl] ester Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)OCC(=O)C(=C2NC3=CC=CC=C3S2)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)OCC(=O)/C(=C/2\NC3=CC=CC=C3S2)/C#N

InChI

InChI=1S/C20H16N2O3S/c21-12-15(20-22-16-8-4-5-9-18(16)26-20)17(23)13-25-19(24)11-10-14-6-2-1-3-7-14/h1-9,22H,10-11,13H2/b20-15+