prop-2-enyl (2E)-5-butylsulfonyl-2-(dimethylcarbamoylimino)-1,3,4-thiadiazole-3-carboxylate

Systemtic Name: prop-2-enyl (2E)-5-butylsulfonyl-2-(dimethylcarbamoylimino)-1,3,4-thiadiazole-3-carboxylate Openeye Name: allyl (2E)-5-butylsulfonyl-2-(dimethylcarbamoylimino)-1,3,4-thiadiazole-3-carboxylate CAS Name: (2E)-5-butylsulfonyl-2-[dimethylamino(oxo)methyl]imino-1,3,4-thiadiazole-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2E)-5-butylsulfonyl-2-(dimethylcarbamoylimino)-1,3,4-thiadiazole-3-carboxylate Traditional Name: (2E)-5-butylsulfonyl-2-(dimethylcarbamoylimino)-1,3,4-thiadiazole-3-carboxylic acid allyl ester Formula: C13H20N4O5S2 MolecularWeight: 376.4517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O5S2/c1-5-7-9-24(20,21)12-15-17(13(19)22-8-6-2)11(23-12)14-10(18)16(3)4/h6H,2,5,7-9H2,1,3-4H3/b14-11+