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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C(=O)OCCCl)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C(=O)OCCCl)C

InChI

InChI=1S/C17H19ClN2O6S/c1-4-20-16(22)12(9-19-20)15(21)11-5-6-13(27(3,24)25)14(10(11)2)17(23)26-8-7-18/h5-6,9,19H,4,7-8H2,1-3H3