5-cyclopropyl-4-(2-methylsulfonylphenyl)carbonyl-1,2-oxazole-3-carboxylate

Systemtic Name: 5-cyclopropyl-4-(2-methylsulfonylphenyl)carbonyl-1,2-oxazole-3-carboxylate Openeye Name: 5-cyclopropyl-4-(2-methylsulfonylbenzoyl)isoxazole-3-carboxylate CAS Name: 5-cyclopropyl-4-[(2-methylsulfonylphenyl)-oxomethyl]-3-isoxazolecarboxylate IUPAC Name: 5-cyclopropyl-4-(2-methylsulfonylbenzoyl)-1,2-oxazole-3-carboxylate Traditional Name: 5-cyclopropyl-4-(2-mesylbenzoyl)isoxazole-3-carboxylate Formula: C15H12NO6S- MolecularWeight: 334.32388

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)C2=C(ON=C2C(=O)[O-])C3CC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)C2=C(ON=C2C(=O)[O-])C3CC3

InChI

InChI=1S/C15H13NO6S/c1-23(20,21)10-5-3-2-4-9(10)13(17)11-12(15(18)19)16-22-14(11)8-6-7-8/h2-5,8H,6-7H2,1H3,(H,18,19)/p-1