ethyl 2-[2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]phenoxy]ethanoate Openeye Name: ethyl 2-[2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]phenoxy]acetate CAS Name: 2-[2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenoxy]acetate Traditional Name: 2-[2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]phenoxy]acetic acid ethyl ester Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=CC=C1C=C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)COC1=CC=CC=C1/C=C(\C#N)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H16N2O3S/c1-2-24-19(23)13-25-17-9-5-3-7-14(17)11-15(12-21)20-22-16-8-4-6-10-18(16)26-20/h3-11H,2,13H2,1H3/b15-11+