6-fluoranyl-4-(2-thiophen-3-ylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one

Systemtic Name: 6-fluoranyl-4-(2-thiophen-3-ylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Openeye Name: 6-fluoro-4-[2-(3-thienyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one CAS Name: 6-fluoro-4-[2-(3-thiophenyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one IUPAC Name: 6-fluoro-4-(2-thiophen-3-ylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Traditional Name: 6-fluoro-4-[2-(3-thienyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Formula: C15H7F4NO2S MolecularWeight: 341.280193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1F)C(OC(=O)N2)(C#CC3=CSC=C3)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=C1F)C(OC(=O)N2)(C#CC3=CSC=C3)C(F)(F)F

InChI

InChI=1S/C15H7F4NO2S/c16-10-1-2-12-11(7-10)14(15(17,18)19,22-13(21)20-12)5-3-9-4-6-23-8-9/h1-2,4,6-8H,(H,20,21)