3-(3-cyano-4-fluoranyl-phenyl)-5-(methylsulfonylaminomethyl)-4H-1,2-oxazole-5-carboxylic acid

Systemtic Name: 3-(3-cyano-4-fluoranyl-phenyl)-5-(methylsulfonylaminomethyl)-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 3-(3-cyano-4-fluoro-phenyl)-5-(methanesulfonamidomethyl)-4H-isoxazole-5-carboxylic acid CAS Name: 3-(3-cyano-4-fluorophenyl)-5-(methanesulfonamidomethyl)-4H-isoxazole-5-carboxylic acid IUPAC Name: 3-(3-cyano-4-fluorophenyl)-5-(methanesulfonamidomethyl)-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 3-(3-cyano-4-fluoro-phenyl)-5-(methanesulfonamidomethyl)-2-isoxazoline-5-carboxylic acid Formula: C13H12FN3O5S MolecularWeight: 341.314883

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1(CC(=NO1)C2=CC(=C(C=C2)F)C#N)C(=O)O

Isomeric SMILES

CS(=O)(=O)NCC1(CC(=NO1)C2=CC(=C(C=C2)F)C#N)C(=O)O

InChI

InChI=1S/C13H12FN3O5S/c1-23(20,21)16-7-13(12(18)19)5-11(17-22-13)8-2-3-10(14)9(4-8)6-15/h2-4,16H,5,7H2,1H3,(H,18,19)