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

Systemtic Name: (2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl 6-acetamidopyridine-2-carboxylate Openeye Name: (2-ethoxycarbonyl-4-fluoro-benzothiophen-3-yl)methyl 6-acetamidopyridine-2-carboxylate CAS Name: 6-acetamido-2-pyridinecarboxylic acid (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl ester IUPAC Name: (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl 6-acetamidopyridine-2-carboxylate Traditional Name: 6-acetamidopicolinic acid (2-carbethoxy-4-fluoro-benzothiophen-3-yl)methyl ester Formula: C20H17FN2O5S MolecularWeight: 416.422783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17FN2O5S/c1-3-27-20(26)18-12(17-13(21)6-4-8-15(17)29-18)10-28-19(25)14-7-5-9-16(23-14)22-11(2)24/h4-9H,3,10H2,1-2H3,(H,22,23,24)