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

Systemtic Name: 2-methoxyethyl 3-[(2-ethyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-2-methyl-6-methylsulfonyl-benzoate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C18H22N2O7S MolecularWeight: 410.44148

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C(=O)OCCOC)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C(=O)OCCOC)C

InChI

InChI=1S/C18H22N2O7S/c1-5-20-17(22)13(10-19-20)16(21)12-6-7-14(28(4,24)25)15(11(12)2)18(23)27-9-8-26-3/h6-7,10,19H,5,8-9H2,1-4H3