(2-ethoxy-2-oxidanylidene-ethyl) 1-ethyl-5-[(4-methylpyridin-3-yl)amino]-6-oxidanylidene-3-thiophen-2-yl-pyridazine-4-carboxylate

Systemtic Name: (2-ethoxy-2-oxidanylidene-ethyl) 1-ethyl-5-[(4-methylpyridin-3-yl)amino]-6-oxidanylidene-3-thiophen-2-yl-pyridazine-4-carboxylate Openeye Name: (2-ethoxy-2-oxo-ethyl) 1-ethyl-5-[(4-methyl-3-pyridyl)amino]-6-oxo-3-(2-thienyl)pyridazine-4-carboxylate CAS Name: 1-ethyl-5-[(4-methyl-3-pyridinyl)amino]-6-oxo-3-thiophen-2-yl-4-pyridazinecarboxylic acid (2-ethoxy-2-oxoethyl) ester IUPAC Name: (2-ethoxy-2-oxoethyl) 1-ethyl-5-[(4-methylpyridin-3-yl)amino]-6-oxo-3-thiophen-2-ylpyridazine-4-carboxylate Traditional Name: 1-ethyl-6-keto-5-[(4-methyl-3-pyridyl)amino]-3-(2-thienyl)pyridazine-4-carboxylic acid (2-ethoxy-2-keto-ethyl) ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C2=CC=CS2)C(=O)OCC(=O)OCC)NC3=C(C=CN=C3)C

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C2=CC=CS2)C(=O)OCC(=O)OCC)NC3=C(C=CN=C3)C

InChI

InChI=1S/C21H22N4O5S/c1-4-25-20(27)19(23-14-11-22-9-8-13(14)3)17(18(24-25)15-7-6-10-31-15)21(28)30-12-16(26)29-5-2/h6-11,23H,4-5,12H2,1-3H3