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

Systemtic Name: 6-[2-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[[4-chloro-3-(trifluoromethyl)phenyl]thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[4-chloro-3-(trifluoromethyl)phenyl]thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C17H11ClF3NO3S MolecularWeight: 401.78735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClF3NO3S/c18-12-3-2-10(6-11(12)17(19,20)21)26-8-14(23)9-1-4-15-13(5-9)22-16(24)7-25-15/h1-6H,7-8H2,(H,22,24)