(2-methylsulfanylphenyl) 2-(4-fluorophenyl)carbonylbutanoate

Systemtic Name: (2-methylsulfanylphenyl) 2-(4-fluorophenyl)carbonylbutanoate Openeye Name: (2-methylsulfanylphenyl) 2-(4-fluorobenzoyl)butanoate CAS Name: 2-[(4-fluorophenyl)-oxomethyl]butanoic acid [2-(methylthio)phenyl] ester IUPAC Name: (2-methylsulfanylphenyl) 2-(4-fluorobenzoyl)butanoate Traditional Name: 2-(4-fluorobenzoyl)butyric acid [2-(methylthio)phenyl] ester Formula: C18H17FO3S MolecularWeight: 332.389183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=C(C=C1)F)C(=O)OC2=CC=CC=C2SC

Isomeric SMILES

CCC(C(=O)C1=CC=C(C=C1)F)C(=O)OC2=CC=CC=C2SC

InChI

InChI=1S/C18H17FO3S/c1-3-14(17(20)12-8-10-13(19)11-9-12)18(21)22-15-6-4-5-7-16(15)23-2/h4-11,14H,3H2,1-2H3