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

Systemtic Name: (2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: (2-ethoxycarbonyl-4-fluoro-benzothiophen-3-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl ester IUPAC Name: (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid (2-carbethoxy-4-fluoro-benzothiophen-3-yl)methyl ester Formula: C19H16FNO5S MolecularWeight: 389.397443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3=CC(=CN3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3=CC(=CN3)C(=O)C

InChI

InChI=1S/C19H16FNO5S/c1-3-25-19(24)17-12(16-13(20)5-4-6-15(16)27-17)9-26-18(23)14-7-11(8-21-14)10(2)22/h4-8,21H,3,9H2,1-2H3