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

Systemtic Name: 1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]imidazole-4-carboxylic acid Openeye Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]imidazole-4-carboxylic acid CAS Name: 1-[[5-(5-chloro-2-thiophenyl)-3-isoxazolyl]methyl]-4-imidazolecarboxylic acid IUPAC Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]imidazole-4-carboxylic acid Traditional Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]imidazole-4-carboxylic acid Formula: C12H8ClN3O3S MolecularWeight: 309.72822

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Cl)C2=CC(=NO2)CN3C=C(N=C3)C(=O)O

Isomeric SMILES

C1=C(SC(=C1)Cl)C2=CC(=NO2)CN3C=C(N=C3)C(=O)O

InChI

InChI=1S/C12H8ClN3O3S/c13-11-2-1-10(20-11)9-3-7(15-19-9)4-16-5-8(12(17)18)14-6-16/h1-3,5-6H,4H2,(H,17,18)