6-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]propyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[5-(trifluoromethyl)-2-pyridyl]thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C17H13F3N2O3S MolecularWeight: 382.35693

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H13F3N2O3S/c1-9(26-15-5-3-11(7-21-15)17(18,19)20)16(24)10-2-4-13-12(6-10)22-14(23)8-25-13/h2-7,9H,8H2,1H3,(H,22,23)