propyl 5-ethylsulfanylcarbonyl-6-(2-fluoranylethyl)-2-phenyl-4-propyl-pyridine-3-carboxylate

Systemtic Name: propyl 5-ethylsulfanylcarbonyl-6-(2-fluoranylethyl)-2-phenyl-4-propyl-pyridine-3-carboxylate Openeye Name: propyl 5-ethylsulfanylcarbonyl-6-(2-fluoroethyl)-2-phenyl-4-propyl-pyridine-3-carboxylate CAS Name: 5-[(ethylthio)-oxomethyl]-6-(2-fluoroethyl)-2-phenyl-4-propyl-3-pyridinecarboxylic acid propyl ester IUPAC Name: propyl 5-ethylsulfanylcarbonyl-6-(2-fluoroethyl)-2-phenyl-4-propylpyridine-3-carboxylate Traditional Name: 5-(ethylthio)carbonyl-6-(2-fluoroethyl)-2-phenyl-4-propyl-nicotinic acid propyl ester Formula: C23H28FNO3S MolecularWeight: 417.536723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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