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

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-butoxy-3-methoxy-benzoate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 4-butoxy-3-methoxy-benzoate CAS Name: 4-butoxy-3-methoxybenzoic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-butoxy-3-methoxybenzoate Traditional Name: 4-butoxy-3-methoxy-benzoic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-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=NOC(=N2)C3=CSC=C3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC2=NOC(=N2)C3=CSC=C3)OC

InChI

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