(2R)-1-[3,4-dimethoxy-5-(trifluoromethylsulfanyl)phenyl]carbonyl-4-ethynyl-N-oxidanyl-2,5-dihydropyrrole-2-carboxamide

Systemtic Name: (2R)-1-[3,4-dimethoxy-5-(trifluoromethylsulfanyl)phenyl]carbonyl-4-ethynyl-N-oxidanyl-2,5-dihydropyrrole-2-carboxamide Openeye Name: (2R)-1-[3,4-dimethoxy-5-(trifluoromethylsulfanyl)benzoyl]-4-ethynyl-2,5-dihydropyrrole-2-carbohydroxamic acid CAS Name: (2R)-1-[[3,4-dimethoxy-5-(trifluoromethylthio)phenyl]-oxomethyl]-4-ethynyl-N-hydroxy-2,5-dihydropyrrole-2-carboxamide IUPAC Name: (2R)-1-[3,4-dimethoxy-5-(trifluoromethylsulfanyl)benzoyl]-4-ethynyl-N-hydroxy-2,5-dihydropyrrole-2-carboxamide Traditional Name: (2R)-1-[3,4-dimethoxy-5-(trifluoromethylthio)benzoyl]-4-ethynyl-3-pyrroline-2-carbohydroxamic acid Formula: C17H15F3N2O5S MolecularWeight: 416.37161

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)N2CC(=CC2C(=O)NO)C#C)SC(F)(F)F)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)N2CC(=C[C@@H]2C(=O)NO)C#C)SC(F)(F)F)OC

InChI

InChI=1S/C17H15F3N2O5S/c1-4-9-5-11(15(23)21-25)22(8-9)16(24)10-6-12(26-2)14(27-3)13(7-10)28-17(18,19)20/h1,5-7,11,25H,8H2,2-3H3,(H,21,23)/t11-/m1/s1