diethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]propanedioate

Systemtic Name: diethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]propanedioate Openeye Name: diethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]propanedioate CAS Name: 2-[[5-tert-butyl-2-[dimethylamino(oxo)methyl]-1,2,4-triazol-3-yl]thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]propanedioate Traditional Name: 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]thio]malonic acid diethyl ester Formula: C16H26N4O5S MolecularWeight: 386.46644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NC(=NN1C(=O)N(C)C)C(C)(C)C

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NC(=NN1C(=O)N(C)C)C(C)(C)C

InChI

InChI=1S/C16H26N4O5S/c1-8-24-11(21)10(12(22)25-9-2)26-14-17-13(16(3,4)5)18-20(14)15(23)19(6)7/h10H,8-9H2,1-7H3