N-[[(2R)-7-(5-ethanoylthiophen-2-yl)-5-fluoranyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[[(2R)-7-(5-ethanoylthiophen-2-yl)-5-fluoranyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[[(2R)-7-(5-acetyl-2-thienyl)-5-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[[(2R)-7-(5-acetyl-2-thiophenyl)-5-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[[(2R)-7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[[(2R)-7-(5-acetyl-2-thienyl)-5-fluoro-coumaran-2-yl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C21H17FN2O4S MolecularWeight: 412.434083

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C2=CC(=CC3=C2OC(C3)CNC(=O)C4=C[N+](=CC=C4)[O-])F

Isomeric SMILES

CC(=O)C1=CC=C(S1)C2=CC(=CC3=C2O[C@H](C3)CNC(=O)C4=C[N+](=CC=C4)[O-])F

InChI

InChI=1S/C21H17FN2O4S/c1-12(25)18-4-5-19(29-18)17-9-15(22)7-14-8-16(28-20(14)17)10-23-21(26)13-3-2-6-24(27)11-13/h2-7,9,11,16H,8,10H2,1H3,(H,23,26)/t16-/m1/s1