6-[2-methoxy-5-(oxan-4-yl)phenyl]sulfanyl-1-methyl-4H-3,1-benzoxazin-2-one

Systemtic Name: 6-[2-methoxy-5-(oxan-4-yl)phenyl]sulfanyl-1-methyl-4H-3,1-benzoxazin-2-one Openeye Name: 6-(2-methoxy-5-tetrahydropyran-4-yl-phenyl)sulfanyl-1-methyl-4H-3,1-benzoxazin-2-one CAS Name: 6-[[2-methoxy-5-(4-oxanyl)phenyl]thio]-1-methyl-4H-3,1-benzoxazin-2-one IUPAC Name: 6-[2-methoxy-5-(oxan-4-yl)phenyl]sulfanyl-1-methyl-4H-3,1-benzoxazin-2-one Traditional Name: 6-[(2-methoxy-5-tetrahydropyran-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=C(C=CC(=C3)C4CCOCC4)OC

Isomeric SMILES

CN1C2=C(COC1=O)C=C(C=C2)SC3=C(C=CC(=C3)C4CCOCC4)OC

InChI

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