dimethyl 1-[(2S)-2-[(3S)-1-hexanoyl-2-oxidanylidene-azetidin-3-yl]propyl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-[(2S)-2-[(3S)-1-hexanoyl-2-oxidanylidene-azetidin-3-yl]propyl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-[(2S)-2-[(3S)-1-hexanoyl-2-oxo-azetidin-3-yl]propyl]triazole-4,5-dicarboxylate CAS Name: 1-[(2S)-2-[(3S)-2-oxo-1-(1-oxohexyl)-3-azetidinyl]propyl]triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[(2S)-2-[(3S)-1-hexanoyl-2-oxoazetidin-3-yl]propyl]triazole-4,5-dicarboxylate Traditional Name: 1-[(2S)-2-[(3S)-1-caproyl-2-keto-azetidin-3-yl]propyl]triazole-4,5-dicarboxylic acid dimethyl ester Formula: C18H26N4O6 MolecularWeight: 394.42224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CC(C1=O)C(C)CN2C(=C(N=N2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCCC(=O)N1C[C@@H](C1=O)[C@H](C)CN2C(=C(N=N2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H26N4O6/c1-5-6-7-8-13(23)21-10-12(16(21)24)11(2)9-22-15(18(26)28-4)14(19-20-22)17(25)27-3/h11-12H,5-10H2,1-4H3/t11-,12-/m1/s1