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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC=CS3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC=CS3)OC

InChI

InChI=1S/C19H20N2O5S/c1-3-4-9-24-14-8-7-13(11-15(14)23-2)19(22)25-12-17-20-18(21-26-17)16-6-5-10-27-16/h5-8,10-11H,3-4,9,12H2,1-2H3