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

Systemtic Name: 4-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-5-cyclopropyl-1,2-oxazole-3-carboxylate Openeye Name: 4-(2-chloro-4-methylsulfonyl-benzoyl)-5-cyclopropyl-isoxazole-3-carboxylate CAS Name: 4-[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]-5-cyclopropyl-3-isoxazolecarboxylate IUPAC Name: 4-(2-chloro-4-methylsulfonylbenzoyl)-5-cyclopropyl-1,2-oxazole-3-carboxylate Traditional Name: 4-(2-chloro-4-mesyl-benzoyl)-5-cyclopropyl-isoxazole-3-carboxylate Formula: C15H11ClNO6S- MolecularWeight: 368.76894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClNO6S/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