[2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluoranyl-phenyl] thiophene-2-carboxylate

Systemtic Name: [2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluoranyl-phenyl] thiophene-2-carboxylate Openeye Name: [2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluoro-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]-4-fluorophenyl] ester IUPAC Name: [2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-[(E)-3-(3,4-dimethoxyphenyl)acryloyl]-4-fluoro-phenyl] ester Formula: C22H17FO5S MolecularWeight: 412.430783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=C(C=CC(=C2)F)OC(=O)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C=CC(=C2)F)OC(=O)C3=CC=CS3)OC

InChI

InChI=1S/C22H17FO5S/c1-26-19-9-6-14(12-20(19)27-2)5-8-17(24)16-13-15(23)7-10-18(16)28-22(25)21-4-3-11-29-21/h3-13H,1-2H3/b8-5+