[(3S)-2-oxidanylideneoxolan-3-yl] 2-(2,4-dimethylphenyl)-5-methyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 2-(2,4-dimethylphenyl)-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carboxylate CAS Name: 2-(2,4-dimethylphenyl)-5-methyl-4-triazolecarboxylic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxylate Traditional Name: 2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carboxylic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)OC3CCOC3=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)O[C@H]3CCOC3=O)C)C

InChI

InChI=1S/C16H17N3O4/c1-9-4-5-12(10(2)8-9)19-17-11(3)14(18-19)16(21)23-13-6-7-22-15(13)20/h4-5,8,13H,6-7H2,1-3H3/t13-/m0/s1