[4-(5-acetamido-3-ethanoyl-2H-1,3,4-thiadiazol-2-yl)-2-bromanyl-6-methoxy-phenyl] methanesulfonate

Systemtic Name: [4-(5-acetamido-3-ethanoyl-2H-1,3,4-thiadiazol-2-yl)-2-bromanyl-6-methoxy-phenyl] methanesulfonate Openeye Name: [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-2-bromo-6-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-2-bromo-6-methoxyphenyl] ester IUPAC Name: [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-2-bromo-6-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-2-bromo-6-methoxy-phenyl] ester Formula: C14H16BrN3O6S2 MolecularWeight: 466.32734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrN3O6S2/c1-7(19)16-14-17-18(8(2)20)13(25-14)9-5-10(15)12(11(6-9)23-3)24-26(4,21)22/h5-6,13H,1-4H3,(H,16,17,19)