N-[[(2S)-7-chloranyl-5-(5-ethanoylthiophen-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-[[(2S)-7-chloranyl-5-(5-ethanoylthiophen-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[[(2S)-5-(5-acetyl-2-thienyl)-7-chloro-2,3-dihydrobenzofuran-2-yl]methyl]-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-[[(2S)-5-(5-acetyl-2-thiophenyl)-7-chloro-2,3-dihydrobenzofuran-2-yl]methyl]-1-oxido-4-pyridin-1-iumcarboxamide IUPAC Name: N-[[(2S)-5-(5-acetylthiophen-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: N-[[(2S)-5-(5-acetyl-2-thienyl)-7-chloro-coumaran-2-yl]methyl]-1-oxido-pyridin-1-ium-4-carboxamide Formula: C21H17ClN2O4S MolecularWeight: 428.88868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O4S/c1-12(25)18-2-3-19(29-18)14-8-15-9-16(28-20(15)17(22)10-14)11-23-21(26)13-4-6-24(27)7-5-13/h2-8,10,16H,9,11H2,1H3,(H,23,26)/t16-/m0/s1