propyl 6-ethyl-5-(3-fluoranylpropylsulfanylcarbonyl)-2-phenyl-4-propyl-pyridine-3-carboxylate

Systemtic Name: propyl 6-ethyl-5-(3-fluoranylpropylsulfanylcarbonyl)-2-phenyl-4-propyl-pyridine-3-carboxylate Openeye Name: propyl 6-ethyl-5-(3-fluoropropylsulfanylcarbonyl)-2-phenyl-4-propyl-pyridine-3-carboxylate CAS Name: 6-ethyl-5-[(3-fluoropropylthio)-oxomethyl]-2-phenyl-4-propyl-3-pyridinecarboxylic acid propyl ester IUPAC Name: propyl 6-ethyl-5-(3-fluoropropylsulfanylcarbonyl)-2-phenyl-4-propylpyridine-3-carboxylate Traditional Name: 6-ethyl-5-(3-fluoropropylthio)carbonyl-2-phenyl-4-propyl-nicotinic acid propyl ester Formula: C24H30FNO3S MolecularWeight: 431.563303

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NC(=C1C(=O)SCCCF)CC)C2=CC=CC=C2)C(=O)OCCC

Isomeric SMILES

CCCC1=C(C(=NC(=C1C(=O)SCCCF)CC)C2=CC=CC=C2)C(=O)OCCC

InChI

InChI=1S/C24H30FNO3S/c1-4-11-18-20(24(28)30-16-10-14-25)19(6-3)26-22(17-12-8-7-9-13-17)21(18)23(27)29-15-5-2/h7-9,12-13H,4-6,10-11,14-16H2,1-3H3