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

Systemtic Name: propan-2-yl 3-[(2-ethyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-2-methyl-6-methylsulfonyl-benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C18H22N2O6S MolecularWeight: 394.44208

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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)C)C

Isomeric SMILES

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

InChI

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