propyl 3-[(2-ethyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-2-methyl-6-methylsulfonyl-benzoate

Systemtic Name: propyl 3-[(2-ethyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-2-methyl-6-methylsulfonyl-benzoate Openeye Name: propyl 3-(2-ethyl-3-oxo-1H-pyrazole-4-carbonyl)-2-methyl-6-methylsulfonyl-benzoate CAS Name: 3-[(2-ethyl-3-oxo-1H-pyrazol-4-yl)-oxomethyl]-2-methyl-6-methylsulfonylbenzoic acid propyl ester IUPAC Name: propyl 3-(2-ethyl-3-oxo-1H-pyrazole-4-carbonyl)-2-methyl-6-methylsulfonylbenzoate Traditional Name: 3-(1-ethyl-5-keto-3-pyrazoline-4-carbonyl)-6-mesyl-2-methyl-benzoic acid propyl ester Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C=CC(=C1C)C(=O)C2=CNN(C2=O)CC)S(=O)(=O)C

Isomeric SMILES

CCCOC(=O)C1=C(C=CC(=C1C)C(=O)C2=CNN(C2=O)CC)S(=O)(=O)C

InChI

InChI=1S/C18H22N2O6S/c1-5-9-26-18(23)15-11(3)12(7-8-14(15)27(4,24)25)16(21)13-10-19-20(6-2)17(13)22/h7-8,10,19H,5-6,9H2,1-4H3