methyl 3-methylsulfonyl-4-(6-oxidanylidene-1-propan-2-yl-pyridazin-3-yl)oxy-benzoate

Systemtic Name: methyl 3-methylsulfonyl-4-(6-oxidanylidene-1-propan-2-yl-pyridazin-3-yl)oxy-benzoate Openeye Name: methyl 4-(1-isopropyl-6-oxo-pyridazin-3-yl)oxy-3-methylsulfonyl-benzoate CAS Name: 3-methylsulfonyl-4-[(6-oxo-1-propan-2-yl-3-pyridazinyl)oxy]benzoic acid methyl ester IUPAC Name: methyl 3-methylsulfonyl-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxybenzoate Traditional Name: 4-(1-isopropyl-6-keto-pyridazin-3-yl)oxy-3-mesyl-benzoic acid methyl ester Formula: C16H18N2O6S MolecularWeight: 366.38892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C=CC(=N1)OC2=C(C=C(C=C2)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC(C)N1C(=O)C=CC(=N1)OC2=C(C=C(C=C2)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C16H18N2O6S/c1-10(2)18-15(19)8-7-14(17-18)24-12-6-5-11(16(20)23-3)9-13(12)25(4,21)22/h5-10H,1-4H3