1-(4-methylthiophen-2-yl)-4-oxidanylidene-6-propyl-pyridazine-3,5-dicarboxylic acid

Systemtic Name: 1-(4-methylthiophen-2-yl)-4-oxidanylidene-6-propyl-pyridazine-3,5-dicarboxylic acid Openeye Name: 1-(4-methyl-2-thienyl)-4-oxo-6-propyl-pyridazine-3,5-dicarboxylic acid CAS Name: 1-(4-methyl-2-thiophenyl)-4-oxo-6-propylpyridazine-3,5-dicarboxylic acid IUPAC Name: 1-(4-methylthiophen-2-yl)-4-oxo-6-propylpyridazine-3,5-dicarboxylic acid Traditional Name: 4-keto-1-(4-methyl-2-thienyl)-6-propyl-pyridazine-3,5-dicarboxylic acid Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)C(=NN1C2=CC(=CS2)C)C(=O)O)C(=O)O

Isomeric SMILES

CCCC1=C(C(=O)C(=NN1C2=CC(=CS2)C)C(=O)O)C(=O)O

InChI

InChI=1S/C14H14N2O5S/c1-3-4-8-10(13(18)19)12(17)11(14(20)21)15-16(8)9-5-7(2)6-22-9/h5-6H,3-4H2,1-2H3,(H,18,19)(H,20,21)