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

Systemtic Name: 2-methoxyethyl 2-methyl-3-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-6-methylsulfonyl-benzoate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C17H20N2O7S MolecularWeight: 396.4149

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O7S/c1-10-11(15(20)12-9-18-19(2)16(12)21)5-6-13(27(4,23)24)14(10)17(22)26-8-7-25-3/h5-6,9,18H,7-8H2,1-4H3