ethyl 4-fluoranyl-3-[(4-methylsulfonyl-3-nitro-phenyl)carbonyloxymethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[(4-methylsulfonyl-3-nitro-phenyl)carbonyloxymethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[(4-methylsulfonyl-3-nitro-benzoyl)oxymethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[(4-methylsulfonyl-3-nitrophenyl)-oxomethoxy]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[(4-methylsulfonyl-3-nitrobenzoyl)oxymethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[(4-mesyl-3-nitro-benzoyl)oxymethyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C20H16FNO8S2 MolecularWeight: 481.471343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H16FNO8S2/c1-3-29-20(24)18-12(17-13(21)5-4-6-15(17)31-18)10-30-19(23)11-7-8-16(32(2,27)28)14(9-11)22(25)26/h4-9H,3,10H2,1-2H3