4-[2-(2,6-dimethoxy-4-thiophen-2-yl-phenyl)prop-2-enoyl]benzoic acid

Systemtic Name: 4-[2-(2,6-dimethoxy-4-thiophen-2-yl-phenyl)prop-2-enoyl]benzoic acid Openeye Name: 4-[2-[2,6-dimethoxy-4-(2-thienyl)phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[2-(2,6-dimethoxy-4-thiophen-2-ylphenyl)-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[2-(2,6-dimethoxy-4-thiophen-2-ylphenyl)prop-2-enoyl]benzoic acid Traditional Name: 4-[2-[2,6-dimethoxy-4-(2-thienyl)phenyl]acryloyl]benzoic acid Formula: C22H18O5S MolecularWeight: 394.44032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1C(=C)C(=O)C2=CC=C(C=C2)C(=O)O)OC)C3=CC=CS3

Isomeric SMILES

COC1=CC(=CC(=C1C(=C)C(=O)C2=CC=C(C=C2)C(=O)O)OC)C3=CC=CS3

InChI

InChI=1S/C22H18O5S/c1-13(21(23)14-6-8-15(9-7-14)22(24)25)20-17(26-2)11-16(12-18(20)27-3)19-5-4-10-28-19/h4-12H,1H2,2-3H3,(H,24,25)