ethyl (2Z)-2-[2-(1,3-benzothiazol-2-yl)benzo[f]chromen-3-ylidene]-2-cyano-ethanoate

Systemtic Name: ethyl (2Z)-2-[2-(1,3-benzothiazol-2-yl)benzo[f]chromen-3-ylidene]-2-cyano-ethanoate Openeye Name: ethyl (2Z)-2-[2-(1,3-benzothiazol-2-yl)benzo[f]chromen-3-ylidene]-2-cyano-acetate CAS Name: (2Z)-2-[2-(1,3-benzothiazol-2-yl)-3-benzo[f][1]benzopyranylidene]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl (2Z)-2-[2-(1,3-benzothiazol-2-yl)benzo[f]chromen-3-ylidene]-2-cyanoacetate Traditional Name: (2Z)-2-[2-(1,3-benzothiazol-2-yl)benzo[f]chromen-3-ylidene]-2-cyano-acetic acid ethyl ester Formula: C25H16N2O3S MolecularWeight: 424.47114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1C(=CC2=C(O1)C=CC3=CC=CC=C32)C4=NC5=CC=CC=C5S4)C#N

Isomeric SMILES

CCOC(=O)/C(=C\1/C(=CC2=C(O1)C=CC3=CC=CC=C32)C4=NC5=CC=CC=C5S4)/C#N

InChI

InChI=1S/C25H16N2O3S/c1-2-29-25(28)19(14-26)23-18(24-27-20-9-5-6-10-22(20)31-24)13-17-16-8-4-3-7-15(16)11-12-21(17)30-23/h3-13H,2H2,1H3/b23-19-