4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-ethyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1H-pyrazol-3-one

Systemtic Name: 4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-ethyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1H-pyrazol-3-one Openeye Name: 4-[3-(4,5-dihydroisoxazol-3-yl)-2-ethyl-4-methylsulfonyl-benzoyl]-2-methyl-1H-pyrazol-3-one CAS Name: 4-[[3-(4,5-dihydroisoxazol-3-yl)-2-ethyl-4-methylsulfonylphenyl]-oxomethyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-ethyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one Traditional Name: 4-[2-ethyl-3-(2-isoxazolin-3-yl)-4-mesyl-benzoyl]-2-methyl-3-pyrazolin-3-one Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C

Isomeric SMILES

CCC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C

InChI

InChI=1S/C17H19N3O5S/c1-4-10-11(16(21)12-9-18-20(2)17(12)22)5-6-14(26(3,23)24)15(10)13-7-8-25-19-13/h5-6,9,18H,4,7-8H2,1-3H3