7-[3-fluoranyl-5-(4-methoxyoxan-2-yl)phenyl]sulfanyl-2,4-dimethyl-1,4-benzoxazin-3-one

Systemtic Name: 7-[3-fluoranyl-5-(4-methoxyoxan-2-yl)phenyl]sulfanyl-2,4-dimethyl-1,4-benzoxazin-3-one Openeye Name: 7-[3-fluoro-5-(4-methoxytetrahydropyran-2-yl)phenyl]sulfanyl-2,4-dimethyl-1,4-benzoxazin-3-one CAS Name: 7-[[3-fluoro-5-(4-methoxy-2-oxanyl)phenyl]thio]-2,4-dimethyl-1,4-benzoxazin-3-one IUPAC Name: 7-[3-fluoro-5-(4-methoxyoxan-2-yl)phenyl]sulfanyl-2,4-dimethyl-1,4-benzoxazin-3-one Traditional Name: 7-[[3-fluoro-5-(4-methoxytetrahydropyran-2-yl)phenyl]thio]-2,4-dimethyl-1,4-benzoxazin-3-one Formula: C22H24FNO4S MolecularWeight: 417.493663

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=C(C=C2)SC3=CC(=CC(=C3)F)C4CC(CCO4)OC)C

Isomeric SMILES

CC1C(=O)N(C2=C(O1)C=C(C=C2)SC3=CC(=CC(=C3)F)C4CC(CCO4)OC)C

InChI

InChI=1S/C22H24FNO4S/c1-13-22(25)24(2)19-5-4-17(12-21(19)28-13)29-18-9-14(8-15(23)10-18)20-11-16(26-3)6-7-27-20/h4-5,8-10,12-13,16,20H,6-7,11H2,1-3H3