methyl 4-[2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[6-(3,4,5-trimethoxyphenyl)-3-pyridazinyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C23H23N3O6S MolecularWeight: 469.51022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(C=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(C=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H23N3O6S/c1-29-18-11-15(12-19(30-2)22(18)31-3)17-9-10-21(26-25-17)33-13-20(27)24-16-7-5-14(6-8-16)23(28)32-4/h5-12H,13H2,1-4H3,(H,24,27)