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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-bromanyl-5-methoxy-benzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic 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 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C15H11BrN2O4S MolecularWeight: 395.22784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrN2O4S/c1-20-10-2-3-12(16)11(6-10)15(19)21-7-13-17-14(18-22-13)9-4-5-23-8-9/h2-6,8H,7H2,1H3