6-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(3,4-difluorophenyl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(3,4-difluorophenyl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(3,4-difluorophenyl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(3,4-difluorophenyl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C16H11F2NO3S MolecularWeight: 335.325246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=CC(=C(C=C3)F)F

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C16H11F2NO3S/c17-11-3-2-10(6-12(11)18)23-8-14(20)9-1-4-15-13(5-9)19-16(21)7-22-15/h1-6H,7-8H2,(H,19,21)