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

Systemtic Name: 7-[3-fluoranyl-5-(4-methoxyoxan-2-yl)phenyl]sulfanyl-2,2,4-trimethyl-1,4-benzoxazin-3-one Openeye Name: 7-[3-fluoro-5-(4-methoxytetrahydropyran-2-yl)phenyl]sulfanyl-2,2,4-trimethyl-1,4-benzoxazin-3-one CAS Name: 7-[[3-fluoro-5-(4-methoxy-2-oxanyl)phenyl]thio]-2,2,4-trimethyl-1,4-benzoxazin-3-one IUPAC Name: 7-[3-fluoro-5-(4-methoxyoxan-2-yl)phenyl]sulfanyl-2,2,4-trimethyl-1,4-benzoxazin-3-one Traditional Name: 7-[[3-fluoro-5-(4-methoxytetrahydropyran-2-yl)phenyl]thio]-2,2,4-trimethyl-1,4-benzoxazin-3-one Formula: C23H26FNO4S MolecularWeight: 431.520243

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(O1)C=C(C=C2)SC3=CC(=CC(=C3)F)C4CC(CCO4)OC)C)C

Isomeric SMILES

CC1(C(=O)N(C2=C(O1)C=C(C=C2)SC3=CC(=CC(=C3)F)C4CC(CCO4)OC)C)C

InChI

InChI=1S/C23H26FNO4S/c1-23(2)22(26)25(3)19-6-5-17(13-21(19)29-23)30-18-10-14(9-15(24)11-18)20-12-16(27-4)7-8-28-20/h5-6,9-11,13,16,20H,7-8,12H2,1-4H3