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

Systemtic Name: [4-(5-acetamido-3-ethanoyl-2H-1,3,4-thiadiazol-2-yl)-2-ethoxy-phenyl] methanesulfonate Openeye Name: [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-2-ethoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-2-ethoxyphenyl] ester IUPAC Name: [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-2-ethoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-2-ethoxy-phenyl] ester Formula: C15H19N3O6S2 MolecularWeight: 401.45786

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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)OS(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O6S2/c1-5-23-13-8-11(6-7-12(13)24-26(4,21)22)14-18(10(3)20)17-15(25-14)16-9(2)19/h6-8,14H,5H2,1-4H3,(H,16,17,19)