5-(5-chloranylthiophen-2-yl)-1-(1,2-oxazol-3-ylmethyl)imidazole-2,4-dicarboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CON=C1CN2C(=C(N=C2C(=O)O)C(=O)O)C3=CC=C(S3)Cl

Isomeric SMILES

C1=CON=C1CN2C(=C(N=C2C(=O)O)C(=O)O)C3=CC=C(S3)Cl

InChI

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