[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)propanoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)propanoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 3-(4-fluorophenyl)propanoate CAS Name: 3-(4-fluorophenyl)propanoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate Traditional Name: 3-(4-fluorophenyl)propionic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C18H18FNO3S MolecularWeight: 347.403823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)CCC2=CC=C(C=C2)F

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)CCC2=CC=C(C=C2)F

InChI

InChI=1S/C18H18FNO3S/c1-24-16-5-3-2-4-15(16)20-17(21)12-23-18(22)11-8-13-6-9-14(19)10-7-13/h2-7,9-10H,8,11-12H2,1H3,(H,20,21)