2,2,3,3,3-pentakis(fluoranyl)propyl 6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-pyridine-3-carboxylate

Systemtic Name: 2,2,3,3,3-pentakis(fluoranyl)propyl 6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-pyridine-3-carboxylate Openeye Name: 2,2,3,3,3-pentafluoropropyl 6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-pyridine-3-carboxylate CAS Name: 6-ethyl-5-[(ethylthio)-oxomethyl]-2-phenyl-4-propyl-3-pyridinecarboxylic acid 2,2,3,3,3-pentafluoropropyl ester IUPAC Name: 2,2,3,3,3-pentafluoropropyl 6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propylpyridine-3-carboxylate Traditional Name: 6-ethyl-5-(ethylthio)carbonyl-2-phenyl-4-propyl-nicotinic acid 2,2,3,3,3-pentafluoropropyl ester Formula: C23H24F5NO3S MolecularWeight: 489.498576

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NC(=C1C(=O)SCC)CC)C2=CC=CC=C2)C(=O)OCC(C(F)(F)F)(F)F

Isomeric SMILES

CCCC1=C(C(=NC(=C1C(=O)SCC)CC)C2=CC=CC=C2)C(=O)OCC(C(F)(F)F)(F)F

InChI

InChI=1S/C23H24F5NO3S/c1-4-10-15-17(21(31)33-6-3)16(5-2)29-19(14-11-8-7-9-12-14)18(15)20(30)32-13-22(24,25)23(26,27)28/h7-9,11-12H,4-6,10,13H2,1-3H3