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

Systemtic Name: [4-(5-acetamido-3-ethanoyl-2H-1,3,4-thiadiazol-2-yl)phenyl] methanesulfonate Openeye Name: [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)phenyl] ester IUPAC Name: [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)phenyl] ester Formula: C13H15N3O5S2 MolecularWeight: 357.4053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O5S2/c1-8(17)14-13-15-16(9(2)18)12(22-13)10-4-6-11(7-5-10)21-23(3,19)20/h4-7,12H,1-3H3,(H,14,15,17)