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

Systemtic Name: methyl 2-methyl-6-methylsulfonyl-3-[(3-oxidanylidene-2-propan-2-yl-1H-pyrazol-4-yl)carbonyl]benzoate Openeye Name: methyl 3-(2-isopropyl-3-oxo-1H-pyrazole-4-carbonyl)-2-methyl-6-methylsulfonyl-benzoate CAS Name: 2-methyl-6-methylsulfonyl-3-[oxo-(3-oxo-2-propan-2-yl-1H-pyrazol-4-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-6-methylsulfonyl-3-(3-oxo-2-propan-2-yl-1H-pyrazole-4-carbonyl)benzoate Traditional Name: 3-(1-isopropyl-5-keto-3-pyrazoline-4-carbonyl)-6-mesyl-2-methyl-benzoic acid methyl ester Formula: C17H20N2O6S MolecularWeight: 380.4155

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(=O)OC)S(=O)(=O)C)C(=O)C2=CNN(C2=O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1C(=O)OC)S(=O)(=O)C)C(=O)C2=CNN(C2=O)C(C)C

InChI

InChI=1S/C17H20N2O6S/c1-9(2)19-16(21)12(8-18-19)15(20)11-6-7-13(26(5,23)24)14(10(11)3)17(22)25-4/h6-9,18H,1-5H3