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

Systemtic Name: propyl 6-ethyl-5-ethylsulfanylcarbonyl-4-(2-fluoranylethyl)-2-phenyl-pyridine-3-carboxylate Openeye Name: propyl 6-ethyl-5-ethylsulfanylcarbonyl-4-(2-fluoroethyl)-2-phenyl-pyridine-3-carboxylate CAS Name: 6-ethyl-5-[(ethylthio)-oxomethyl]-4-(2-fluoroethyl)-2-phenyl-3-pyridinecarboxylic acid propyl ester IUPAC Name: propyl 6-ethyl-5-ethylsulfanylcarbonyl-4-(2-fluoroethyl)-2-phenylpyridine-3-carboxylate Traditional Name: 6-ethyl-5-(ethylthio)carbonyl-4-(2-fluoroethyl)-2-phenyl-nicotinic acid propyl ester Formula: C22H26FNO3S MolecularWeight: 403.510143

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C(=C(N=C1C2=CC=CC=C2)CC)C(=O)SCC)CCF

Isomeric SMILES

CCCOC(=O)C1=C(C(=C(N=C1C2=CC=CC=C2)CC)C(=O)SCC)CCF

InChI

InChI=1S/C22H26FNO3S/c1-4-14-27-21(25)19-16(12-13-23)18(22(26)28-6-3)17(5-2)24-20(19)15-10-8-7-9-11-15/h7-11H,4-6,12-14H2,1-3H3