4,5,6-triethoxy-7-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanylmethyl)-3H-2-benzofuran-1-one

Systemtic Name: 4,5,6-triethoxy-7-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanylmethyl)-3H-2-benzofuran-1-one Openeye Name: 4,5,6-triethoxy-7-(oxazolo[4,5-b]pyridin-2-ylsulfanylmethyl)-3H-isobenzofuran-1-one CAS Name: 4,5,6-triethoxy-7-[(2-oxazolo[4,5-b]pyridinylthio)methyl]-3H-isobenzofuran-1-one IUPAC Name: 4,5,6-triethoxy-7-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanylmethyl)-3H-2-benzofuran-1-one Traditional Name: 4,5,6-triethoxy-7-[(oxazolo[4,5-b]pyridin-2-ylthio)methyl]phthalide Formula: C21H22N2O6S MolecularWeight: 430.47418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C2=C1COC2=O)CSC3=NC4=C(O3)C=CC=N4)OCC)OCC

Isomeric SMILES

CCOC1=C(C(=C(C2=C1COC2=O)CSC3=NC4=C(O3)C=CC=N4)OCC)OCC

InChI

InChI=1S/C21H22N2O6S/c1-4-25-16-12-10-28-20(24)15(12)13(17(26-5-2)18(16)27-6-3)11-30-21-23-19-14(29-21)8-7-9-22-19/h7-9H,4-6,10-11H2,1-3H3