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

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-bromanyl-5-sulfamoyl-benzoate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 2-bromo-5-sulfamoyl-benzoate CAS Name: 2-bromo-5-sulfamoylbenzoic 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 2-bromo-5-sulfamoylbenzoate Traditional Name: 2-bromo-5-sulfamoyl-benzoic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C14H10BrN3O5S2 MolecularWeight: 444.2803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)N)C(=O)OCC2=NOC(=N2)C3=CSC=C3)Br

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)N)C(=O)OCC2=NOC(=N2)C3=CSC=C3)Br

InChI

InChI=1S/C14H10BrN3O5S2/c15-11-2-1-9(25(16,20)21)5-10(11)14(19)22-6-12-17-13(23-18-12)8-3-4-24-7-8/h1-5,7H,6H2,(H2,16,20,21)