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

Systemtic Name: 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-ethoxy-phenoxy]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-ethoxy-phenoxy]-N,N-dimethyl-acetamide CAS Name: 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy]-N,N-dimethylacetamide IUPAC Name: 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy]-N,N-dimethylacetamide Traditional Name: 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-ethoxy-phenoxy]-N,N-dimethyl-acetamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)OCC(=O)N(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)OCC(=O)N(C)C

InChI

InChI=1S/C22H21N3O3S/c1-4-27-19-12-15(9-10-18(19)28-14-21(26)25(2)3)11-16(13-23)22-24-17-7-5-6-8-20(17)29-22/h5-12H,4,14H2,1-3H3/b16-11+