4-[(E)-3-(2,4-dimethoxy-5-thiophen-3-yl-phenyl)prop-2-enoyl]benzoic acid

Systemtic Name: 4-[(E)-3-(2,4-dimethoxy-5-thiophen-3-yl-phenyl)prop-2-enoyl]benzoic acid Openeye Name: 4-[(E)-3-[2,4-dimethoxy-5-(3-thienyl)phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[(E)-3-[2,4-dimethoxy-5-(3-thiophenyl)phenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(2,4-dimethoxy-5-thiophen-3-ylphenyl)prop-2-enoyl]benzoic acid Traditional Name: 4-[(E)-3-[2,4-dimethoxy-5-(3-thienyl)phenyl]acryloyl]benzoic acid Formula: C22H18O5S MolecularWeight: 394.44032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CSC=C2)C=CC(=O)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1C2=CSC=C2)/C=C/C(=O)C3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C22H18O5S/c1-26-20-12-21(27-2)18(17-9-10-28-13-17)11-16(20)7-8-19(23)14-3-5-15(6-4-14)22(24)25/h3-13H,1-2H3,(H,24,25)/b8-7+