4-[3-(3,4-dimethoxy-5-thiophen-2-yl-phenyl)-3-oxidanylidene-prop-1-en-2-yl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18O5S/c1-13(14-6-8-15(9-7-14)22(24)25)20(23)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)