methyl 4-ethanoyl-5-[(ethenylsulfonylamino)methyl]-5-phenyl-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: methyl 4-ethanoyl-5-[(ethenylsulfonylamino)methyl]-5-phenyl-1,3,4-thiadiazole-2-carboxylate Openeye Name: methyl 4-acetyl-5-phenyl-5-[(vinylsulfonylamino)methyl]-1,3,4-thiadiazole-2-carboxylate CAS Name: 4-acetyl-5-[(ethenylsulfonylamino)methyl]-5-phenyl-1,3,4-thiadiazole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-acetyl-5-[(ethenylsulfonylamino)methyl]-5-phenyl-1,3,4-thiadiazole-2-carboxylate Traditional Name: 4-acetyl-5-phenyl-5-[(vinylsulfonylamino)methyl]-1,3,4-thiadiazole-2-carboxylic acid methyl ester Formula: C15H17N3O5S2 MolecularWeight: 383.44258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(SC(=N1)C(=O)OC)(CNS(=O)(=O)C=C)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N1C(SC(=N1)C(=O)OC)(CNS(=O)(=O)C=C)C2=CC=CC=C2

InChI

InChI=1S/C15H17N3O5S2/c1-4-25(21,22)16-10-15(12-8-6-5-7-9-12)18(11(2)19)17-13(24-15)14(20)23-3/h4-9,16H,1,10H2,2-3H3