3-(4-fluorophenyl)-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: 3-(4-fluorophenyl)-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: 3-(4-fluorophenyl)-4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 3-(4-fluorophenyl)-4-[4-(methylthio)phenyl]-4-oxobutanoate IUPAC Name: 3-(4-fluorophenyl)-4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 3-(4-fluorophenyl)-4-keto-4-[4-(methylthio)phenyl]butyrate Formula: C17H14FO3S- MolecularWeight: 317.354663

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C(CC(=O)[O-])C2=CC=C(C=C2)F

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)C(CC(=O)[O-])C2=CC=C(C=C2)F

InChI

InChI=1S/C17H15FO3S/c1-22-14-8-4-12(5-9-14)17(21)15(10-16(19)20)11-2-6-13(18)7-3-11/h2-9,15H,10H2,1H3,(H,19,20)/p-1