3-ethyl-2-[(5,6,7-triethoxy-3-oxidanylidene-1H-2-benzofuran-4-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-ethyl-2-[(5,6,7-triethoxy-3-oxidanylidene-1H-2-benzofuran-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-ethyl-2-[(5,6,7-triethoxy-3-oxo-1H-isobenzofuran-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-ethyl-2-[(5,6,7-triethoxy-3-oxo-1H-isobenzofuran-4-yl)methylthio]-4-quinazolinone IUPAC Name: 3-ethyl-2-[(5,6,7-triethoxy-3-oxo-1H-2-benzofuran-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-ethyl-2-[(5,6,7-triethoxy-3-keto-phthalan-4-yl)methylthio]quinazolin-4-one Formula: C25H28N2O6S MolecularWeight: 484.56462

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(C(=C(C4=C3C(=O)OC4)OCC)OCC)OCC

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(C(=C(C4=C3C(=O)OC4)OCC)OCC)OCC

InChI

InChI=1S/C25H28N2O6S/c1-5-27-23(28)15-11-9-10-12-18(15)26-25(27)34-14-17-19-16(13-33-24(19)29)20(30-6-2)22(32-8-4)21(17)31-7-3/h9-12H,5-8,13-14H2,1-4H3