[4-(6-fluoranyl-5-hexoxy-pyridin-2-yl)phenyl] 5-hexylthiophene-2-carboxylate

Systemtic Name: [4-(6-fluoranyl-5-hexoxy-pyridin-2-yl)phenyl] 5-hexylthiophene-2-carboxylate Openeye Name: [4-(6-fluoro-5-hexoxy-2-pyridyl)phenyl] 5-hexylthiophene-2-carboxylate CAS Name: 5-hexyl-2-thiophenecarboxylic acid [4-(6-fluoro-5-hexoxy-2-pyridinyl)phenyl] ester IUPAC Name: [4-(6-fluoro-5-hexoxypyridin-2-yl)phenyl] 5-hexylthiophene-2-carboxylate Traditional Name: 5-hexylthiophene-2-carboxylic acid [4-(6-fluoro-5-hexoxy-2-pyridyl)phenyl] ester Formula: C28H34FNO3S MolecularWeight: 483.637863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(S1)C(=O)OC2=CC=C(C=C2)C3=NC(=C(C=C3)OCCCCCC)F

Isomeric SMILES

CCCCCCC1=CC=C(S1)C(=O)OC2=CC=C(C=C2)C3=NC(=C(C=C3)OCCCCCC)F

InChI

InChI=1S/C28H34FNO3S/c1-3-5-7-9-11-23-16-19-26(34-23)28(31)33-22-14-12-21(13-15-22)24-17-18-25(27(29)30-24)32-20-10-8-6-4-2/h12-19H,3-11,20H2,1-2H3