(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-[bis(fluoranyl)methylsulfanyl]benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-[bis(fluoranyl)methylsulfanyl]benzoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 4-(difluoromethylsulfanyl)benzoate CAS Name: 4-(difluoromethylthio)benzoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 4-(difluoromethylsulfanyl)benzoate Traditional Name: 4-(difluoromethylthio)benzoic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C16H13F2NO3S MolecularWeight: 337.341126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)N)OC(=O)C2=CC=C(C=C2)SC(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)N)OC(=O)C2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C16H13F2NO3S/c17-16(18)23-12-8-6-11(7-9-12)15(21)22-13(14(19)20)10-4-2-1-3-5-10/h1-9,13,16H,(H2,19,20)