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

Systemtic Name: 1-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-2-methyl-3H-pyrazole-3,5-dicarboxylic acid Openeye Name: 1-[5-(5-chloro-2-thienyl)isoxazol-3-yl]-2-methyl-3H-pyrazole-3,5-dicarboxylic acid CAS Name: 1-[5-(5-chloro-2-thiophenyl)-3-isoxazolyl]-2-methyl-3H-pyrazole-3,5-dicarboxylic acid IUPAC Name: 1-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-2-methyl-3H-pyrazole-3,5-dicarboxylic acid Traditional Name: 1-[5-(5-chloro-2-thienyl)isoxazol-3-yl]-2-methyl-3-pyrazoline-3,5-dicarboxylic acid Formula: C13H10ClN3O5S MolecularWeight: 355.7536

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C=C(N1C2=NOC(=C2)C3=CC=C(S3)Cl)C(=O)O)C(=O)O

Isomeric SMILES

CN1C(C=C(N1C2=NOC(=C2)C3=CC=C(S3)Cl)C(=O)O)C(=O)O

InChI

InChI=1S/C13H10ClN3O5S/c1-16-6(12(18)19)4-7(13(20)21)17(16)11-5-8(22-15-11)9-2-3-10(14)23-9/h2-6H,1H3,(H,18,19)(H,20,21)