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

Systemtic Name: (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid [5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C18H16BrN3O6S2 MolecularWeight: 514.37014

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NN=C(O3)C4=CC=CS4)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NN=C(O3)C4=CC=CS4)Br

InChI

InChI=1S/C18H16BrN3O6S2/c19-13-4-3-12(10-15(13)30(24,25)22-5-7-26-8-6-22)18(23)27-11-16-20-21-17(28-16)14-2-1-9-29-14/h1-4,9-10H,5-8,11H2