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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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