ethyl 3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyloxymethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyloxymethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]oxymethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethoxy]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]oxymethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]oxymethyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C19H18FN3O6S MolecularWeight: 435.426123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H18FN3O6S/c1-4-28-19(25)18-12(16-13(20)6-5-7-14(16)30-18)9-29-15(24)8-22-11(3)17(23(26)27)10(2)21-22/h5-7H,4,8-9H2,1-3H3