5-[(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-1-ethyl-2-ethylsulfanyl-6-oxidanyl-pyrimidin-4-one

Systemtic Name: 5-[(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-1-ethyl-2-ethylsulfanyl-6-oxidanyl-pyrimidin-4-one Openeye Name: 5-[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-1-ethyl-2-ethylsulfanyl-6-hydroxy-pyrimidin-4-one CAS Name: 5-[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-1-ethyl-2-(ethylthio)-6-hydroxy-4-pyrimidinone IUPAC Name: 5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-1-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one Traditional Name: 1-ethyl-2-(ethylthio)-6-hydroxy-5-[(1S)-3-keto-4,5-dimethoxy-phthalan-1-yl]pyrimidin-4-one Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)N=C1SCC)C2C3=C(C(=C(C=C3)OC)OC)C(=O)O2)O

Isomeric SMILES

CCN1C(=C(C(=O)N=C1SCC)[C@@H]2C3=C(C(=C(C=C3)OC)OC)C(=O)O2)O

InChI

InChI=1S/C18H20N2O6S/c1-5-20-16(22)12(15(21)19-18(20)27-6-2)13-9-7-8-10(24-3)14(25-4)11(9)17(23)26-13/h7-8,13,22H,5-6H2,1-4H3/t13-/m0/s1