ethyl 2-[2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[6-(2-thienyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[(6-thiophen-2-yl-3-pyridazinyl)thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[6-(2-thienyl)pyridazin-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(C=C2)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(C=C2)C3=CC=CS3

InChI

InChI=1S/C19H17N3O3S2/c1-2-25-19(24)13-6-3-4-7-14(13)20-17(23)12-27-18-10-9-15(21-22-18)16-8-5-11-26-16/h3-11H,2,12H2,1H3,(H,20,23)