6-[3-(4-methoxyoxan-4-yl)phenyl]sulfanyl-1-methyl-4H-3,1-benzoxazin-2-one

Systemtic Name: 6-[3-(4-methoxyoxan-4-yl)phenyl]sulfanyl-1-methyl-4H-3,1-benzoxazin-2-one Openeye Name: 6-[3-(4-methoxytetrahydropyran-4-yl)phenyl]sulfanyl-1-methyl-4H-3,1-benzoxazin-2-one CAS Name: 6-[[3-(4-methoxy-4-oxanyl)phenyl]thio]-1-methyl-4H-3,1-benzoxazin-2-one IUPAC Name: 6-[3-(4-methoxyoxan-4-yl)phenyl]sulfanyl-1-methyl-4H-3,1-benzoxazin-2-one Traditional Name: 6-[[3-(4-methoxytetrahydropyran-4-yl)phenyl]thio]-1-methyl-4H-3,1-benzoxazin-2-one Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(COC1=O)C=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)OC

Isomeric SMILES

CN1C2=C(COC1=O)C=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)OC

InChI

InChI=1S/C21H23NO4S/c1-22-19-7-6-18(12-15(19)14-26-20(22)23)27-17-5-3-4-16(13-17)21(24-2)8-10-25-11-9-21/h3-7,12-13H,8-11,14H2,1-2H3