[2-(methylsulfonylmethyl)phenyl]carbonyl 3-bromanyl-5-cyclopropyl-2H-1,2-oxazole-3-carboxylate

Systemtic Name: [2-(methylsulfonylmethyl)phenyl]carbonyl 3-bromanyl-5-cyclopropyl-2H-1,2-oxazole-3-carboxylate Openeye Name: [2-(methylsulfonylmethyl)benzoyl] 3-bromo-5-cyclopropyl-2H-isoxazole-3-carboxylate CAS Name: 3-bromo-5-cyclopropyl-2H-isoxazole-3-carboxylic acid [[2-(methylsulfonylmethyl)phenyl]-oxomethyl] ester IUPAC Name: [2-(methylsulfonylmethyl)benzoyl] 3-bromo-5-cyclopropyl-2H-1,2-oxazole-3-carboxylate Traditional Name: 3-bromo-5-cyclopropyl-4-isoxazoline-3-carboxylic acid [2-(mesylmethyl)benzoyl] ester Formula: C16H16BrNO6S MolecularWeight: 430.27034

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC=C1C(=O)OC(=O)C2(C=C(ON2)C3CC3)Br

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC=C1C(=O)OC(=O)C2(C=C(ON2)C3CC3)Br

InChI

InChI=1S/C16H16BrNO6S/c1-25(21,22)9-11-4-2-3-5-12(11)14(19)23-15(20)16(17)8-13(24-18-16)10-6-7-10/h2-5,8,10,18H,6-7,9H2,1H3