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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic 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 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C14H9BrN2O4S MolecularWeight: 381.20126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)OCC2=NC(=NO2)C3=CSC=C3)O

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)OCC2=NC(=NO2)C3=CSC=C3)O

InChI

InChI=1S/C14H9BrN2O4S/c15-9-1-2-11(18)10(5-9)14(19)20-6-12-16-13(17-21-12)8-3-4-22-7-8/h1-5,7,18H,6H2