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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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