[2-(5-acetamido-3-ethanoyl-2H-1,3,4-thiadiazol-2-yl)-4-bromanyl-phenyl] methanesulfonate

Systemtic Name: [2-(5-acetamido-3-ethanoyl-2H-1,3,4-thiadiazol-2-yl)-4-bromanyl-phenyl] methanesulfonate Openeye Name: [2-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-4-bromo-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-4-bromophenyl] ester IUPAC Name: [2-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-4-bromophenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-4-bromo-phenyl] ester Formula: C13H14BrN3O5S2 MolecularWeight: 436.30136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN(C(S1)C2=C(C=CC(=C2)Br)OS(=O)(=O)C)C(=O)C

Isomeric SMILES

CC(=O)NC1=NN(C(S1)C2=C(C=CC(=C2)Br)OS(=O)(=O)C)C(=O)C

InChI

InChI=1S/C13H14BrN3O5S2/c1-7(18)15-13-16-17(8(2)19)12(23-13)10-6-9(14)4-5-11(10)22-24(3,20)21/h4-6,12H,1-3H3,(H,15,16,18)