2-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenoxy]ethanoate

Systemtic Name: 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenoxy]ethanoate Openeye Name: 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenoxy]acetate CAS Name: 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate IUPAC Name: 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate Traditional Name: 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenoxy]acetate Formula: C19H13N2O4S- MolecularWeight: 365.38252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)OCC(=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)OCC(=O)[O-]

InChI

InChI=1S/C19H14N2O4S/c1-24-16-9-12(6-7-15(16)25-11-18(22)23)8-13(10-20)19-21-14-4-2-3-5-17(14)26-19/h2-9H,11H2,1H3,(H,22,23)/p-1/b13-8+