3-[(5,6,7-trimethoxy-3-oxidanylidene-1H-2-benzofuran-4-yl)methylsulfanyl]-1H-quinoxalin-2-one

Systemtic Name: 3-[(5,6,7-trimethoxy-3-oxidanylidene-1H-2-benzofuran-4-yl)methylsulfanyl]-1H-quinoxalin-2-one Openeye Name: 3-[(5,6,7-trimethoxy-3-oxo-1H-isobenzofuran-4-yl)methylsulfanyl]-1H-quinoxalin-2-one CAS Name: 3-[(5,6,7-trimethoxy-3-oxo-1H-isobenzofuran-4-yl)methylthio]-1H-quinoxalin-2-one IUPAC Name: 3-[(5,6,7-trimethoxy-3-oxo-1H-2-benzofuran-4-yl)methylsulfanyl]-1H-quinoxalin-2-one Traditional Name: 3-[(3-keto-5,6,7-trimethoxy-phthalan-4-yl)methylthio]-1H-quinoxalin-2-one Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1COC2=O)CSC3=NC4=CC=CC=C4NC3=O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C2=C1COC2=O)CSC3=NC4=CC=CC=C4NC3=O)OC)OC

InChI

InChI=1S/C20H18N2O6S/c1-25-15-10-8-28-20(24)14(10)11(16(26-2)17(15)27-3)9-29-19-18(23)21-12-6-4-5-7-13(12)22-19/h4-7H,8-9H2,1-3H3,(H,21,23)