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

Systemtic Name: 7-[3-fluoranyl-5-(4-methoxyoxan-4-yl)phenyl]sulfanyl-2-methyl-4H-1,4-benzoxazin-3-one Openeye Name: 7-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenyl]sulfanyl-2-methyl-4H-1,4-benzoxazin-3-one CAS Name: 7-[[3-fluoro-5-(4-methoxy-4-oxanyl)phenyl]thio]-2-methyl-4H-1,4-benzoxazin-3-one IUPAC Name: 7-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanyl-2-methyl-4H-1,4-benzoxazin-3-one Traditional Name: 7-[[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenyl]thio]-2-methyl-4H-1,4-benzoxazin-3-one Formula: C21H22FNO4S MolecularWeight: 403.467083

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=C(C=C2)SC3=CC(=CC(=C3)F)C4(CCOCC4)OC

Isomeric SMILES

CC1C(=O)NC2=C(O1)C=C(C=C2)SC3=CC(=CC(=C3)F)C4(CCOCC4)OC

InChI

InChI=1S/C21H22FNO4S/c1-13-20(24)23-18-4-3-16(12-19(18)27-13)28-17-10-14(9-15(22)11-17)21(25-2)5-7-26-8-6-21/h3-4,9-13H,5-8H2,1-2H3,(H,23,24)