[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propionic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CCC2=NC(=NO2)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CCC2=NC(=NO2)C3=CC=CS3)OC

InChI

InChI=1S/C19H18N2O6S/c1-24-14-6-5-12(10-15(14)25-2)13(22)11-26-18(23)8-7-17-20-19(21-27-17)16-4-3-9-28-16/h3-6,9-10H,7-8,11H2,1-2H3