[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C17H16FNO3S MolecularWeight: 333.377243

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCCCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCCCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H16FNO3S/c1-23-16-14(4-2-10-19-16)17(21)22-11-3-5-15(20)12-6-8-13(18)9-7-12/h2,4,6-10H,3,5,11H2,1H3