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

Systemtic Name: ethyl 3-[(4-chloranyl-2-nitro-phenyl)carbonyloxymethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(4-chloro-2-nitro-benzoyl)oxymethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[(4-chloro-2-nitrophenyl)-oxomethoxy]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-chloro-2-nitrobenzoyl)oxymethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[(4-chloro-2-nitro-benzoyl)oxymethyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C19H13ClFNO6S MolecularWeight: 437.826023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13ClFNO6S/c1-2-27-19(24)17-12(16-13(21)4-3-5-15(16)29-17)9-28-18(23)11-7-6-10(20)8-14(11)22(25)26/h3-8H,2,9H2,1H3