2-methylpropyl (2E)-2-(dimethylcarbamoylimino)-5-methylsulfonyl-1,3,4-thiadiazole-3-carboxylate

Systemtic Name: 2-methylpropyl (2E)-2-(dimethylcarbamoylimino)-5-methylsulfonyl-1,3,4-thiadiazole-3-carboxylate Openeye Name: isobutyl (2E)-2-(dimethylcarbamoylimino)-5-methylsulfonyl-1,3,4-thiadiazole-3-carboxylate CAS Name: (2E)-2-[dimethylamino(oxo)methyl]imino-5-methylsulfonyl-1,3,4-thiadiazole-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (2E)-2-(dimethylcarbamoylimino)-5-methylsulfonyl-1,3,4-thiadiazole-3-carboxylate Traditional Name: (2E)-2-(dimethylcarbamoylimino)-5-mesyl-1,3,4-thiadiazole-3-carboxylic acid isobutyl ester Formula: C11H18N4O5S2 MolecularWeight: 350.41442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1C(=NC(=O)N(C)C)SC(=N1)S(=O)(=O)C

Isomeric SMILES

CC(C)COC(=O)N1/C(=N\C(=O)N(C)C)/SC(=N1)S(=O)(=O)C

InChI

InChI=1S/C11H18N4O5S2/c1-7(2)6-20-11(17)15-9(12-8(16)14(3)4)21-10(13-15)22(5,18)19/h7H,6H2,1-5H3/b12-9+