[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 3-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-(4-methylphenyl)-2-thiophenecarboxylic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-(p-tolyl)thiophene-2-carboxylic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C22H20O5S MolecularWeight: 396.4562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)OCC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)OCC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H20O5S/c1-14-4-6-15(7-5-14)17-10-11-28-21(17)22(24)27-13-18(23)16-8-9-19(25-2)20(12-16)26-3/h4-12H,13H2,1-3H3