(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)OCC2=NC(=NO2)C3=CSC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)OCC2=NC(=NO2)C3=CSC=C3)OC

InChI

InChI=1S/C18H18N2O5S/c1-22-14-5-3-12(9-15(14)23-2)4-6-17(21)24-10-16-19-18(20-25-16)13-7-8-26-11-13/h3,5,7-9,11H,4,6,10H2,1-2H3