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

Systemtic Name: ethyl 4-[2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C23H23N3O5S/c1-4-31-23(28)15-5-7-16(8-6-15)24-21(27)14-32-22-12-11-19(25-26-22)18-10-9-17(29-2)13-20(18)30-3/h5-13H,4,14H2,1-3H3,(H,24,27)