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

Systemtic Name: (2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl 3-methyl-1-benzofuran-2-carboxylate Openeye Name: (2-ethoxycarbonyl-4-fluoro-benzothiophen-3-yl)methyl 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl ester IUPAC Name: (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid (2-carbethoxy-4-fluoro-benzothiophen-3-yl)methyl ester Formula: C22H17FO5S MolecularWeight: 412.430783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3=C(C4=CC=CC=C4O3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3=C(C4=CC=CC=C4O3)C

InChI

InChI=1S/C22H17FO5S/c1-3-26-22(25)20-14(18-15(23)8-6-10-17(18)29-20)11-27-21(24)19-12(2)13-7-4-5-9-16(13)28-19/h4-10H,3,11H2,1-2H3