methyl 4-[4-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)butanoylamino]benzoate

Systemtic Name: methyl 4-[4-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)butanoylamino]benzoate Openeye Name: methyl 4-[4-[6-oxo-3-(2-thienyl)pyridazin-1-yl]butanoylamino]benzoate CAS Name: 4-[[1-oxo-4-(6-oxo-3-thiophen-2-yl-1-pyridazinyl)butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butanoylamino]benzoate Traditional Name: 4-[4-[6-keto-3-(2-thienyl)pyridazin-1-yl]butanoylamino]benzoic acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4S/c1-27-20(26)14-6-8-15(9-7-14)21-18(24)5-2-12-23-19(25)11-10-16(22-23)17-4-3-13-28-17/h3-4,6-11,13H,2,5,12H2,1H3,(H,21,24)