ethyl 3-acetyloxy-2-[[5-butan-2-yl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: ethyl 3-acetyloxy-2-[[5-butan-2-yl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl 3-acetoxy-2-[[2-(dimethylcarbamoyl)-5-sec-butyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-acetyloxy-2-[[5-butan-2-yl-2-[dimethylamino(oxo)methyl]-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-acetyloxy-2-[[5-butan-2-yl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-acetoxy-2-[[2-(dimethylcarbamoyl)-5-sec-butyl-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C16H26N4O5S MolecularWeight: 386.46644

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NN(C(=N1)SC(COC(=O)C)C(=O)OCC)C(=O)N(C)C

Isomeric SMILES

CCC(C)C1=NN(C(=N1)SC(COC(=O)C)C(=O)OCC)C(=O)N(C)C

InChI

InChI=1S/C16H26N4O5S/c1-7-10(3)13-17-15(20(18-13)16(23)19(5)6)26-12(9-25-11(4)21)14(22)24-8-2/h10,12H,7-9H2,1-6H3