dimethyl 2-[4-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)butanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[4-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)butanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[4-[6-oxo-3-(2-thienyl)pyridazin-1-yl]butanoylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-4-(6-oxo-3-thiophen-2-yl-1-pyridazinyl)butyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[4-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butanoylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[4-[6-keto-3-(2-thienyl)pyridazin-1-yl]butanoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=CS3

InChI

InChI=1S/C22H21N3O6S/c1-30-21(28)14-7-8-15(22(29)31-2)17(13-14)23-19(26)6-3-11-25-20(27)10-9-16(24-25)18-5-4-12-32-18/h4-5,7-10,12-13H,3,6,11H2,1-2H3,(H,23,26)