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

Systemtic Name: methyl 3-[(2-ethyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-2-methyl-6-methylsulfonyl-benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H18N2O6S MolecularWeight: 366.38892

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O6S/c1-5-18-15(20)11(8-17-18)14(19)10-6-7-12(25(4,22)23)13(9(10)2)16(21)24-3/h6-8,17H,5H2,1-4H3