(2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate

Systemtic Name: (2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate Openeye Name: (2-ethoxycarbonyl-4-fluoro-benzothiophen-3-yl)methyl 6-morpholinopyridine-3-carboxylate CAS Name: 6-(4-morpholinyl)-3-pyridinecarboxylic acid (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl ester IUPAC Name: (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate Traditional Name: 6-morpholinonicotinic acid (2-carbethoxy-4-fluoro-benzothiophen-3-yl)methyl ester Formula: C22H21FN2O5S MolecularWeight: 444.475943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3=CN=C(C=C3)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3=CN=C(C=C3)N4CCOCC4

InChI

InChI=1S/C22H21FN2O5S/c1-2-29-22(27)20-15(19-16(23)4-3-5-17(19)31-20)13-30-21(26)14-6-7-18(24-12-14)25-8-10-28-11-9-25/h3-7,12H,2,8-11,13H2,1H3