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

Systemtic Name: ethyl 2-chloranyl-3-[(2-ethyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-6-methylsulfonyl-benzoate Openeye Name: ethyl 2-chloro-3-(2-ethyl-3-oxo-1H-pyrazole-4-carbonyl)-6-methylsulfonyl-benzoate CAS Name: 2-chloro-3-[(2-ethyl-3-oxo-1H-pyrazol-4-yl)-oxomethyl]-6-methylsulfonylbenzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-3-(2-ethyl-3-oxo-1H-pyrazole-4-carbonyl)-6-methylsulfonylbenzoate Traditional Name: 2-chloro-3-(1-ethyl-5-keto-3-pyrazoline-4-carbonyl)-6-mesyl-benzoic acid ethyl ester Formula: C16H17ClN2O6S MolecularWeight: 400.83398

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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)OCC)Cl

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C(=O)OCC)Cl

InChI

InChI=1S/C16H17ClN2O6S/c1-4-19-15(21)10(8-18-19)14(20)9-6-7-11(26(3,23)24)12(13(9)17)16(22)25-5-2/h6-8,18H,4-5H2,1-3H3