O1-methyl O3-propan-2-yl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanylmethyl]propanedioate

Systemtic Name: O1-methyl O3-propan-2-yl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanylmethyl]propanedioate Openeye Name: O1-isopropyl O3-methyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanylmethyl]propanedioate CAS Name: 2-[[[5-tert-butyl-2-[dimethylamino(oxo)methyl]-1,2,4-triazol-3-yl]thio]methyl]propanedioic acid O1-methyl ester O3-propan-2-yl ester IUPAC Name: 1-O-methyl 3-O-propan-2-yl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanylmethyl]propanedioate Traditional Name: 2-[[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]thio]methyl]malonic acid O1-isopropyl ester O3-methyl ester Formula: C17H28N4O5S MolecularWeight: 400.49302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CSC1=NC(=NN1C(=O)N(C)C)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC(C)OC(=O)C(CSC1=NC(=NN1C(=O)N(C)C)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C17H28N4O5S/c1-10(2)26-13(23)11(12(22)25-8)9-27-15-18-14(17(3,4)5)19-21(15)16(24)20(6)7/h10-11H,9H2,1-8H3