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

Systemtic Name: [4-(5-acetamido-3-ethanoyl-2H-1,3,4-thiadiazol-2-yl)-2-bromanyl-6-ethoxy-phenyl] methanesulfonate Openeye Name: [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-2-bromo-6-ethoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-2-bromo-6-ethoxyphenyl] ester IUPAC Name: [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-2-bromo-6-ethoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-2-bromo-6-ethoxy-phenyl] ester Formula: C15H18BrN3O6S2 MolecularWeight: 480.35392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2N(N=C(S2)NC(=O)C)C(=O)C)Br)OS(=O)(=O)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2N(N=C(S2)NC(=O)C)C(=O)C)Br)OS(=O)(=O)C

InChI

InChI=1S/C15H18BrN3O6S2/c1-5-24-12-7-10(6-11(16)13(12)25-27(4,22)23)14-19(9(3)21)18-15(26-14)17-8(2)20/h6-7,14H,5H2,1-4H3,(H,17,18,20)