7-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4,5,6-trimethoxy-3H-2-benzofuran-1-one

Systemtic Name: 7-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4,5,6-trimethoxy-3H-2-benzofuran-1-one Openeye Name: 7-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4,5,6-trimethoxy-3H-isobenzofuran-1-one CAS Name: 7-[[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-4,5,6-trimethoxy-3H-isobenzofuran-1-one IUPAC Name: 7-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4,5,6-trimethoxy-3H-2-benzofuran-1-one Traditional Name: 7-[[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-4,5,6-trimethoxy-phthalide Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1COC2=O)CSC3=NN=C(O3)C45CC6CC(C4)CC(C6)C5)OC)OC

Isomeric SMILES

COC1=C(C(=C(C2=C1COC2=O)CSC3=NN=C(O3)C45CC6CC(C4)CC(C6)C5)OC)OC

InChI

InChI=1S/C24H28N2O6S/c1-28-18-15-10-31-21(27)17(15)16(19(29-2)20(18)30-3)11-33-23-26-25-22(32-23)24-7-12-4-13(8-24)6-14(5-12)9-24/h12-14H,4-11H2,1-3H3