ethyl 4-fluoranyl-3-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C17H14FNO3S2 MolecularWeight: 363.426363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H14FNO3S2/c1-2-22-17(20)16-11(10-23-14-8-3-4-9-19(14)21)15-12(18)6-5-7-13(15)24-16/h3-9H,2,10H2,1H3