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

Systemtic Name: ethyl 4-[4-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)butanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-2-28-21(27)15-7-9-16(10-8-15)22-19(25)6-3-13-24-20(26)12-11-17(23-24)18-5-4-14-29-18/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,22,25)