5-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]-1H-imidazole-2,4-dicarboxylic acid

Systemtic Name: 5-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]-1H-imidazole-2,4-dicarboxylic acid Openeye Name: 5-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-1H-imidazole-2,4-dicarboxylic acid CAS Name: 5-[[5-(5-chloro-2-thiophenyl)-3-isoxazolyl]methyl]-1H-imidazole-2,4-dicarboxylic acid IUPAC Name: 5-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-1H-imidazole-2,4-dicarboxylic acid Traditional Name: 5-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-1H-imidazole-2,4-dicarboxylic acid Formula: C13H8ClN3O5S MolecularWeight: 353.73772

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Cl)C2=CC(=NO2)CC3=C(N=C(N3)C(=O)O)C(=O)O

Isomeric SMILES

C1=C(SC(=C1)Cl)C2=CC(=NO2)CC3=C(N=C(N3)C(=O)O)C(=O)O

InChI

InChI=1S/C13H8ClN3O5S/c14-9-2-1-8(23-9)7-4-5(17-22-7)3-6-10(12(18)19)16-11(15-6)13(20)21/h1-2,4H,3H2,(H,15,16)(H,18,19)(H,20,21)