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

Systemtic Name: ethyl 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenoxy]ethanoate Openeye Name: ethyl 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]acetic acid ethyl ester IUPAC Name: ethyl 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]acetic acid ethyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4S/c1-3-26-20(24)13-27-17-9-8-14(11-18(17)25-2)10-15(12-22)21-23-16-6-4-5-7-19(16)28-21/h4-11H,3,13H2,1-2H3/b15-10+