propan-2-yl 2-methyl-6-methylsulfonyl-3-[(3-oxidanylidene-1,2-dihydropyrazol-4-yl)carbonyl]benzoate

Systemtic Name: propan-2-yl 2-methyl-6-methylsulfonyl-3-[(3-oxidanylidene-1,2-dihydropyrazol-4-yl)carbonyl]benzoate Openeye Name: isopropyl 2-methyl-6-methylsulfonyl-3-(3-oxo-1,2-dihydropyrazole-4-carbonyl)benzoate CAS Name: 2-methyl-6-methylsulfonyl-3-[oxo-(3-oxo-1,2-dihydropyrazol-4-yl)methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-methyl-6-methylsulfonyl-3-(3-oxo-1,2-dihydropyrazole-4-carbonyl)benzoate Traditional Name: 3-(3-keto-3-pyrazoline-4-carbonyl)-6-mesyl-2-methyl-benzoic acid isopropyl ester Formula: C16H18N2O6S MolecularWeight: 366.38892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(=O)OC(C)C)S(=O)(=O)C)C(=O)C2=CNNC2=O

Isomeric SMILES

CC1=C(C=CC(=C1C(=O)OC(C)C)S(=O)(=O)C)C(=O)C2=CNNC2=O

InChI

InChI=1S/C16H18N2O6S/c1-8(2)24-16(21)13-9(3)10(5-6-12(13)25(4,22)23)14(19)11-7-17-18-15(11)20/h5-8H,1-4H3,(H2,17,18,20)