4-(4-bromanyl-2-methylsulfonyl-phenyl)carbonyl-5-cyclopropyl-1,2-oxazole-3-carboxylic acid

Systemtic Name: 4-(4-bromanyl-2-methylsulfonyl-phenyl)carbonyl-5-cyclopropyl-1,2-oxazole-3-carboxylic acid Openeye Name: 4-(4-bromo-2-methylsulfonyl-benzoyl)-5-cyclopropyl-isoxazole-3-carboxylic acid CAS Name: 4-[(4-bromo-2-methylsulfonylphenyl)-oxomethyl]-5-cyclopropyl-3-isoxazolecarboxylic acid IUPAC Name: 4-(4-bromo-2-methylsulfonylbenzoyl)-5-cyclopropyl-1,2-oxazole-3-carboxylic acid Traditional Name: 4-(4-bromo-2-mesyl-benzoyl)-5-cyclopropyl-isoxazole-3-carboxylic acid Formula: C15H12BrNO6S MolecularWeight: 414.22788

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)Br)C(=O)C2=C(ON=C2C(=O)O)C3CC3

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)Br)C(=O)C2=C(ON=C2C(=O)O)C3CC3

InChI

InChI=1S/C15H12BrNO6S/c1-24(21,22)10-6-8(16)4-5-9(10)13(18)11-12(15(19)20)17-23-14(11)7-2-3-7/h4-7H,2-3H2,1H3,(H,19,20)