(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-isobutoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(2-methylpropoxy)benzoic 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-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxy-3-methoxy-benzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c1-12(2)9-24-15-5-4-13(8-16(15)23-3)19(22)25-10-17-20-18(21-26-17)14-6-7-27-11-14/h4-8,11-12H,9-10H2,1-3H3