3-fluoranylpropyl 6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-pyridine-3-carboxylate

Systemtic Name: 3-fluoranylpropyl 6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-pyridine-3-carboxylate Openeye Name: 3-fluoropropyl 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 3-fluoropropyl ester IUPAC Name: 3-fluoropropyl 6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propylpyridine-3-carboxylate Traditional Name: 6-ethyl-5-(ethylthio)carbonyl-2-phenyl-4-propyl-nicotinic acid 3-fluoropropyl ester Formula: C23H28FNO3S MolecularWeight: 417.536723

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NC(=C1C(=O)SCC)CC)C2=CC=CC=C2)C(=O)OCCCF

Isomeric SMILES

CCCC1=C(C(=NC(=C1C(=O)SCC)CC)C2=CC=CC=C2)C(=O)OCCCF

InChI

InChI=1S/C23H28FNO3S/c1-4-11-17-19(23(27)29-6-3)18(5-2)25-21(16-12-8-7-9-13-16)20(17)22(26)28-15-10-14-24/h7-9,12-13H,4-6,10-11,14-15H2,1-3H3