6-[2-[2,5-bis(fluoranyl)phenyl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[2,5-bis(fluoranyl)phenyl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(2,5-difluorophenyl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(2,5-difluorophenyl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(2,5-difluorophenyl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(2,5-difluorophenyl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C16H11F2NO3S MolecularWeight: 335.325246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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