ethyl 6-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 6-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 6-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-5-methoxy-2-methyl-benzofuran-3-carboxylate CAS Name: 6-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-5-methoxy-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 6-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-5-methoxy-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C23H18N2O4S MolecularWeight: 418.46502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC)C=C(C#N)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC)/C=C(\C#N)/C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C23H18N2O4S/c1-4-28-23(26)21-13(2)29-19-10-14(18(27-3)11-16(19)21)9-15(12-24)22-25-17-7-5-6-8-20(17)30-22/h5-11H,4H2,1-3H3/b15-9+