N-[[(2R)-7-(5-ethanoylthiophen-2-yl)-5-fluoranyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-oxidanidyl-pyridin-1-ium-4-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-4-carboxamide Openeye Name: N-[[(2R)-7-(5-acetyl-2-thienyl)-5-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-[[(2R)-7-(5-acetyl-2-thiophenyl)-5-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]-1-oxido-4-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-4-carboxamide Traditional Name: N-[[(2R)-7-(5-acetyl-2-thienyl)-5-fluoro-coumaran-2-yl]methyl]-1-oxido-pyridin-1-ium-4-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=CC=[N+](C=C4)[O-])F

Isomeric SMILES

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

InChI

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