5-cyclopropyl-4-(2-fluoranyl-4-methylsulfonyl-phenyl)carbonyl-1,2-oxazole-3-carboxylate

Systemtic Name: 5-cyclopropyl-4-(2-fluoranyl-4-methylsulfonyl-phenyl)carbonyl-1,2-oxazole-3-carboxylate Openeye Name: 5-cyclopropyl-4-(2-fluoro-4-methylsulfonyl-benzoyl)isoxazole-3-carboxylate CAS Name: 5-cyclopropyl-4-[(2-fluoro-4-methylsulfonylphenyl)-oxomethyl]-3-isoxazolecarboxylate IUPAC Name: 5-cyclopropyl-4-(2-fluoro-4-methylsulfonylbenzoyl)-1,2-oxazole-3-carboxylate Traditional Name: 5-cyclopropyl-4-(2-fluoro-4-mesyl-benzoyl)isoxazole-3-carboxylate Formula: C15H11FNO6S- MolecularWeight: 352.314343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2=C(ON=C2C(=O)[O-])C3CC3)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2=C(ON=C2C(=O)[O-])C3CC3)F

InChI

InChI=1S/C15H12FNO6S/c1-24(21,22)8-4-5-9(10(16)6-8)13(18)11-12(15(19)20)17-23-14(11)7-2-3-7/h4-7H,2-3H2,1H3,(H,19,20)/p-1