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

Systemtic Name: ethyl 2-chloranyl-6-methylsulfonyl-3-[(3-oxidanylidene-2-propan-2-yl-1H-pyrazol-4-yl)carbonyl]benzoate Openeye Name: ethyl 2-chloro-3-(2-isopropyl-3-oxo-1H-pyrazole-4-carbonyl)-6-methylsulfonyl-benzoate CAS Name: 2-chloro-6-methylsulfonyl-3-[oxo-(3-oxo-2-propan-2-yl-1H-pyrazol-4-yl)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-6-methylsulfonyl-3-(3-oxo-2-propan-2-yl-1H-pyrazole-4-carbonyl)benzoate Traditional Name: 2-chloro-3-(1-isopropyl-5-keto-3-pyrazoline-4-carbonyl)-6-mesyl-benzoic acid ethyl ester Formula: C17H19ClN2O6S MolecularWeight: 414.86056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1Cl)C(=O)C2=CNN(C2=O)C(C)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1Cl)C(=O)C2=CNN(C2=O)C(C)C)S(=O)(=O)C

InChI

InChI=1S/C17H19ClN2O6S/c1-5-26-17(23)13-12(27(4,24)25)7-6-10(14(13)18)15(21)11-8-19-20(9(2)3)16(11)22/h6-9,19H,5H2,1-4H3