(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-(3-bromanylphenoxy)butanoate

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-(3-bromanylphenoxy)butanoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic 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-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H15BrN2O4S MolecularWeight: 423.281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OCCCC(=O)OCC2=NC(=NO2)C3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)Br)OCCCC(=O)OCC2=NC(=NO2)C3=CC=CS3

InChI

InChI=1S/C17H15BrN2O4S/c18-12-4-1-5-13(10-12)22-8-2-7-16(21)23-11-15-19-17(20-24-15)14-6-3-9-25-14/h1,3-6,9-10H,2,7-8,11H2