4-fluoranyl-3-[(4-methylsulfanylphenyl)methylamino]benzoic acid

Systemtic Name: 4-fluoranyl-3-[(4-methylsulfanylphenyl)methylamino]benzoic acid Openeye Name: 4-fluoro-3-[(4-methylsulfanylphenyl)methylamino]benzoic acid CAS Name: 4-fluoro-3-[[4-(methylthio)phenyl]methylamino]benzoic acid IUPAC Name: 4-fluoro-3-[(4-methylsulfanylphenyl)methylamino]benzoic acid Traditional Name: 4-fluoro-3-[[4-(methylthio)benzyl]amino]benzoic acid Formula: C15H14FNO2S MolecularWeight: 291.340563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC2=C(C=CC(=C2)C(=O)O)F

Isomeric SMILES

CSC1=CC=C(C=C1)CNC2=C(C=CC(=C2)C(=O)O)F

InChI

InChI=1S/C15H14FNO2S/c1-20-12-5-2-10(3-6-12)9-17-14-8-11(15(18)19)4-7-13(14)16/h2-8,17H,9H2,1H3,(H,18,19)