methyl 4-[[5-ethanoyl-2-ethyl-6-(4-methylsulfinylphenyl)-3-oxidanylidene-pyridazin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[5-ethanoyl-2-ethyl-6-(4-methylsulfinylphenyl)-3-oxidanylidene-pyridazin-4-yl]amino]benzoate Openeye Name: methyl 4-[[5-acetyl-2-ethyl-6-(4-methylsulfinylphenyl)-3-oxo-pyridazin-4-yl]amino]benzoate CAS Name: 4-[[5-acetyl-2-ethyl-6-(4-methylsulfinylphenyl)-3-oxo-4-pyridazinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-acetyl-2-ethyl-6-(4-methylsulfinylphenyl)-3-oxopyridazin-4-yl]amino]benzoate Traditional Name: 4-[[5-acetyl-2-ethyl-3-keto-6-(4-methylsulfinylphenyl)pyridazin-4-yl]amino]benzoic acid methyl ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C2=CC=C(C=C2)S(=O)C)C(=O)C)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C2=CC=C(C=C2)S(=O)C)C(=O)C)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H23N3O5S/c1-5-26-22(28)21(24-17-10-6-16(7-11-17)23(29)31-3)19(14(2)27)20(25-26)15-8-12-18(13-9-15)32(4)30/h6-13,24H,5H2,1-4H3