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

Systemtic Name: 4-[2-(3,4-dimethoxy-5-thiophen-2-yl-phenyl)prop-2-enoyl]benzoic acid Openeye Name: 4-[2-[3,4-dimethoxy-5-(2-thienyl)phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[2-(3,4-dimethoxy-5-thiophen-2-ylphenyl)-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[2-(3,4-dimethoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]benzoic acid Traditional Name: 4-[2-[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(=C)C(=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/c1-13(20(23)14-6-8-15(9-7-14)22(24)25)16-11-17(19-5-4-10-28-19)21(27-3)18(12-16)26-2/h4-12H,1H2,2-3H3,(H,24,25)