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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18O5S/c1-26-19-13-14(12-17(21(19)27-2)20-4-3-11-28-20)5-10-18(23)15-6-8-16(9-7-15)22(24)25/h3-13H,1-2H3,(H,24,25)/b10-5+