methyl 4-[2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[6-(2,4-dimethoxyphenyl)-3-pyridazinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C22H21N3O5S/c1-28-16-8-9-17(19(12-16)29-2)18-10-11-21(25-24-18)31-13-20(26)23-15-6-4-14(5-7-15)22(27)30-3/h4-12H,13H2,1-3H3,(H,23,26)