methyl 4-[2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[6-(2-thienyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(6-thiophen-2-yl-3-pyridazinyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[6-(2-thienyl)pyridazin-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C18H15N3O3S2 MolecularWeight: 385.46

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CS3

InChI

InChI=1S/C18H15N3O3S2/c1-24-18(23)12-4-6-13(7-5-12)19-16(22)11-26-17-9-8-14(20-21-17)15-3-2-10-25-15/h2-10H,11H2,1H3,(H,19,22)