[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-fluoranyl-4-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-fluoranyl-4-methoxy-benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-fluoro-4-methoxy-benzoate CAS Name: 2-fluoro-4-methoxybenzoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-fluoro-4-methoxybenzoate Traditional Name: 2-fluoro-4-methoxy-benzoic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C22H18FNO4S MolecularWeight: 411.446023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)F

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)F

InChI

InChI=1S/C22H18FNO4S/c1-27-15-11-12-17(18(23)13-15)22(26)28-14-21(25)24-19-9-5-6-10-20(19)29-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,25)