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

Systemtic Name: (2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl quinoline-2-carboxylate Openeye Name: (2-ethoxycarbonyl-4-fluoro-benzothiophen-3-yl)methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl ester IUPAC Name: (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl quinoline-2-carboxylate Traditional Name: quinaldic acid (2-carbethoxy-4-fluoro-benzothiophen-3-yl)methyl ester Formula: C22H16FNO4S MolecularWeight: 409.430143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H16FNO4S/c1-2-27-22(26)20-14(19-15(23)7-5-9-18(19)29-20)12-28-21(25)17-11-10-13-6-3-4-8-16(13)24-17/h3-11H,2,12H2,1H3