4-[3-(2,6-dimethoxy-3-thiophen-2-yl-phenyl)-3-oxidanylidene-prop-1-en-2-yl]benzoic acid

Systemtic Name: 4-[3-(2,6-dimethoxy-3-thiophen-2-yl-phenyl)-3-oxidanylidene-prop-1-en-2-yl]benzoic acid Openeye Name: 4-[1-[2,6-dimethoxy-3-(2-thienyl)benzoyl]vinyl]benzoic acid CAS Name: 4-[3-(2,6-dimethoxy-3-thiophen-2-ylphenyl)-3-oxoprop-1-en-2-yl]benzoic acid IUPAC Name: 4-[3-(2,6-dimethoxy-3-thiophen-2-ylphenyl)-3-oxoprop-1-en-2-yl]benzoic acid Traditional Name: 4-[1-[2,6-dimethoxy-3-(2-thienyl)benzoyl]vinyl]benzoic acid Formula: C22H18O5S MolecularWeight: 394.44032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2=CC=CS2)OC)C(=O)C(=C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=C(C(=C(C=C1)C2=CC=CS2)OC)C(=O)C(=C)C3=CC=C(C=C3)C(=O)O

InChI

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