2-chloroethyl 5-[(2-ethyl-3-oxidanylidene-1H-pyrazol-5-yl)carbonyl]-2-(methylsulfonylmethyl)benzoate

Systemtic Name: 2-chloroethyl 5-[(2-ethyl-3-oxidanylidene-1H-pyrazol-5-yl)carbonyl]-2-(methylsulfonylmethyl)benzoate Openeye Name: 2-chloroethyl 5-(2-ethyl-3-oxo-1H-pyrazole-5-carbonyl)-2-(methylsulfonylmethyl)benzoate CAS Name: 5-[(2-ethyl-3-oxo-1H-pyrazol-5-yl)-oxomethyl]-2-(methylsulfonylmethyl)benzoic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 5-(2-ethyl-3-oxo-1H-pyrazole-5-carbonyl)-2-(methylsulfonylmethyl)benzoate Traditional Name: 5-(1-ethyl-5-keto-3-pyrazoline-3-carbonyl)-2-(mesylmethyl)benzoic acid 2-chloroethyl ester Formula: C17H19ClN2O6S MolecularWeight: 414.86056

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C=C(N1)C(=O)C2=CC(=C(C=C2)CS(=O)(=O)C)C(=O)OCCCl

Isomeric SMILES

CCN1C(=O)C=C(N1)C(=O)C2=CC(=C(C=C2)CS(=O)(=O)C)C(=O)OCCCl

InChI

InChI=1S/C17H19ClN2O6S/c1-3-20-15(21)9-14(19-20)16(22)11-4-5-12(10-27(2,24)25)13(8-11)17(23)26-7-6-18/h4-5,8-9,19H,3,6-7,10H2,1-2H3