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

Systemtic Name: 2-methylpropyl (2E)-2-(dimethylcarbamoylimino)-5-hexylsulfonyl-1,3,4-thiadiazole-3-carboxylate Openeye Name: isobutyl (2E)-2-(dimethylcarbamoylimino)-5-hexylsulfonyl-1,3,4-thiadiazole-3-carboxylate CAS Name: (2E)-2-[dimethylamino(oxo)methyl]imino-5-hexylsulfonyl-1,3,4-thiadiazole-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (2E)-2-(dimethylcarbamoylimino)-5-hexylsulfonyl-1,3,4-thiadiazole-3-carboxylate Traditional Name: (2E)-2-(dimethylcarbamoylimino)-5-hexylsulfonyl-1,3,4-thiadiazole-3-carboxylic acid isobutyl ester Formula: C16H28N4O5S2 MolecularWeight: 420.54732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)C1=NN(C(=NC(=O)N(C)C)S1)C(=O)OCC(C)C

Isomeric SMILES

CCCCCCS(=O)(=O)C1=NN(/C(=N\C(=O)N(C)C)/S1)C(=O)OCC(C)C

InChI

InChI=1S/C16H28N4O5S2/c1-6-7-8-9-10-27(23,24)15-18-20(16(22)25-11-12(2)3)14(26-15)17-13(21)19(4)5/h12H,6-11H2,1-5H3/b17-14+