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

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(3-thiophenyl)-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-3-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(3-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=CSC=C3)OC

Isomeric SMILES

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

InChI

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