methyl 5-[(E)-2-(4-cyanophenyl)ethenyl]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[(E)-2-(4-cyanophenyl)ethenyl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[(E)-2-(4-cyanophenyl)vinyl]benzothiophene-2-carboxylate CAS Name: 5-[(E)-2-(4-cyanophenyl)ethenyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[(E)-2-(4-cyanophenyl)ethenyl]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(E)-2-(4-cyanophenyl)vinyl]benzothiophene-2-carboxylic acid methyl ester Formula: C19H13NO2S MolecularWeight: 319.37702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)C=CC(=C2)C=CC3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1=CC2=C(S1)C=CC(=C2)/C=C/C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H13NO2S/c1-22-19(21)18-11-16-10-14(8-9-17(16)23-18)5-2-13-3-6-15(12-20)7-4-13/h2-11H,1H3/b5-2+