7-[3-fluoranyl-5-(4-methoxyoxan-4-yl)phenyl]sulfanyl-4-methyl-1,4-benzoxazine-3-thione

Systemtic Name: 7-[3-fluoranyl-5-(4-methoxyoxan-4-yl)phenyl]sulfanyl-4-methyl-1,4-benzoxazine-3-thione Openeye Name: 7-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenyl]sulfanyl-4-methyl-1,4-benzoxazine-3-thione CAS Name: 7-[[3-fluoro-5-(4-methoxy-4-oxanyl)phenyl]thio]-4-methyl-1,4-benzoxazine-3-thione IUPAC Name: 7-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanyl-4-methyl-1,4-benzoxazine-3-thione Traditional Name: 7-[[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenyl]thio]-4-methyl-1,4-benzoxazine-3-thione Formula: C21H22FNO3S2 MolecularWeight: 419.532683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)COC2=C1C=CC(=C2)SC3=CC(=CC(=C3)F)C4(CCOCC4)OC

Isomeric SMILES

CN1C(=S)COC2=C1C=CC(=C2)SC3=CC(=CC(=C3)F)C4(CCOCC4)OC

InChI

InChI=1S/C21H22FNO3S2/c1-23-18-4-3-16(12-19(18)26-13-20(23)27)28-17-10-14(9-15(22)11-17)21(24-2)5-7-25-8-6-21/h3-4,9-12H,5-8,13H2,1-2H3