4-(2-chloranyl-4-ethylsulfonyl-phenyl)carbonyl-5-cyclopropyl-1,2-oxazole-3-carboxylic acid

Systemtic Name: 4-(2-chloranyl-4-ethylsulfonyl-phenyl)carbonyl-5-cyclopropyl-1,2-oxazole-3-carboxylic acid Openeye Name: 4-(2-chloro-4-ethylsulfonyl-benzoyl)-5-cyclopropyl-isoxazole-3-carboxylic acid CAS Name: 4-[(2-chloro-4-ethylsulfonylphenyl)-oxomethyl]-5-cyclopropyl-3-isoxazolecarboxylic acid IUPAC Name: 4-(2-chloro-4-ethylsulfonylbenzoyl)-5-cyclopropyl-1,2-oxazole-3-carboxylic acid Traditional Name: 4-(2-chloro-4-esyl-benzoyl)-5-cyclopropyl-isoxazole-3-carboxylic acid Formula: C16H14ClNO6S MolecularWeight: 383.80346

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2=C(ON=C2C(=O)O)C3CC3)Cl

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2=C(ON=C2C(=O)O)C3CC3)Cl

InChI

InChI=1S/C16H14ClNO6S/c1-2-25(22,23)9-5-6-10(11(17)7-9)14(19)12-13(16(20)21)18-24-15(12)8-3-4-8/h5-8H,2-4H2,1H3,(H,20,21)