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

Systemtic Name: propyl 6-ethyl-2-phenyl-4-propyl-5-[2,2,2-tris(fluoranyl)ethylsulfanylcarbonyl]pyridine-3-carboxylate Openeye Name: propyl 6-ethyl-2-phenyl-4-propyl-5-(2,2,2-trifluoroethylsulfanylcarbonyl)pyridine-3-carboxylate CAS Name: 6-ethyl-5-[oxo-(2,2,2-trifluoroethylthio)methyl]-2-phenyl-4-propyl-3-pyridinecarboxylic acid propyl ester IUPAC Name: propyl 6-ethyl-2-phenyl-4-propyl-5-(2,2,2-trifluoroethylsulfanylcarbonyl)pyridine-3-carboxylate Traditional Name: 6-ethyl-2-phenyl-4-propyl-5-(2,2,2-trifluoroethylthio)carbonyl-nicotinic acid propyl ester Formula: C23H26F3NO3S MolecularWeight: 453.51765

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26F3NO3S/c1-4-10-16-18(22(29)31-14-23(24,25)26)17(6-3)27-20(15-11-8-7-9-12-15)19(16)21(28)30-13-5-2/h7-9,11-12H,4-6,10,13-14H2,1-3H3