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

Systemtic Name: 4-(2-chloranyl-3-methoxy-4-methylsulfonyl-phenyl)carbonyl-5-cyclopropyl-1,2-oxazole-3-carboxylic acid Openeye Name: 4-(2-chloro-3-methoxy-4-methylsulfonyl-benzoyl)-5-cyclopropyl-isoxazole-3-carboxylic acid CAS Name: 4-[(2-chloro-3-methoxy-4-methylsulfonylphenyl)-oxomethyl]-5-cyclopropyl-3-isoxazolecarboxylic acid IUPAC Name: 4-(2-chloro-3-methoxy-4-methylsulfonylbenzoyl)-5-cyclopropyl-1,2-oxazole-3-carboxylic acid Traditional Name: 4-(2-chloro-4-mesyl-3-methoxy-benzoyl)-5-cyclopropyl-isoxazole-3-carboxylic acid Formula: C16H14ClNO7S MolecularWeight: 399.80286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1Cl)C(=O)C2=C(ON=C2C(=O)O)C3CC3)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1Cl)C(=O)C2=C(ON=C2C(=O)O)C3CC3)S(=O)(=O)C

InChI

InChI=1S/C16H14ClNO7S/c1-24-15-9(26(2,22)23)6-5-8(11(15)17)13(19)10-12(16(20)21)18-25-14(10)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,20,21)