2-[4-[(E)-2-(5-chloranyl-1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-ethoxy-phenoxy]-N-ethyl-ethanamide

Systemtic Name: 2-[4-[(E)-2-(5-chloranyl-1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-ethoxy-phenoxy]-N-ethyl-ethanamide Openeye Name: 2-[4-[(E)-2-(5-chloro-1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-ethoxy-phenoxy]-N-ethyl-acetamide CAS Name: 2-[4-[(E)-2-(5-chloro-1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy]-N-ethylacetamide IUPAC Name: 2-[4-[(E)-2-(5-chloro-1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy]-N-ethylacetamide Traditional Name: 2-[4-[(E)-2-(5-chloro-1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-ethoxy-phenoxy]-N-ethyl-acetamide Formula: C22H20ClN3O3S MolecularWeight: 441.9305

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)COC1=C(C=C(C=C1)C=C(C#N)C2=NC3=C(S2)C=CC(=C3)Cl)OCC

Isomeric SMILES

CCNC(=O)COC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC3=C(S2)C=CC(=C3)Cl)OCC

InChI

InChI=1S/C22H20ClN3O3S/c1-3-25-21(27)13-29-18-7-5-14(10-19(18)28-4-2)9-15(12-24)22-26-17-11-16(23)6-8-20(17)30-22/h5-11H,3-4,13H2,1-2H3,(H,25,27)/b15-9+