(2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: (2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: (2-ethoxycarbonyl-4-fluoro-benzothiophen-3-yl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl ester IUPAC Name: (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid (2-carbethoxy-4-fluoro-benzothiophen-3-yl)methyl ester Formula: C18H15FN2O6S MolecularWeight: 406.384903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3=CC(=CN3C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3=CC(=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C18H15FN2O6S/c1-3-26-18(23)16-11(15-12(19)5-4-6-14(15)28-16)9-27-17(22)13-7-10(21(24)25)8-20(13)2/h4-8H,3,9H2,1-2H3