methyl 4-[3-(2,4-dimethoxy-5-thiophen-2-yl-phenyl)prop-2-ynoyl]benzoate

Systemtic Name: methyl 4-[3-(2,4-dimethoxy-5-thiophen-2-yl-phenyl)prop-2-ynoyl]benzoate Openeye Name: methyl 4-[3-[2,4-dimethoxy-5-(2-thienyl)phenyl]prop-2-ynoyl]benzoate CAS Name: 4-[3-(2,4-dimethoxy-5-thiophen-2-ylphenyl)-1-oxoprop-2-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(2,4-dimethoxy-5-thiophen-2-ylphenyl)prop-2-ynoyl]benzoate Traditional Name: 4-[3-[2,4-dimethoxy-5-(2-thienyl)phenyl]propioloyl]benzoic acid methyl ester Formula: C23H18O5S MolecularWeight: 406.45102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C#CC(=O)C2=CC=C(C=C2)C(=O)OC)C3=CC=CS3)OC

Isomeric SMILES

COC1=CC(=C(C=C1C#CC(=O)C2=CC=C(C=C2)C(=O)OC)C3=CC=CS3)OC

InChI

InChI=1S/C23H18O5S/c1-26-20-14-21(27-2)18(22-5-4-12-29-22)13-17(20)10-11-19(24)15-6-8-16(9-7-15)23(25)28-3/h4-9,12-14H,1-3H3