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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1C)C(=O)C2=CNN(C2=O)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1C)C(=O)C2=CNN(C2=O)C)S(=O)(=O)C

InChI

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