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

Systemtic Name: 5-[(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-2-ethylsulfanyl-6-oxidanyl-1-phenyl-pyrimidin-4-one Openeye Name: 5-[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-2-ethylsulfanyl-6-hydroxy-1-phenyl-pyrimidin-4-one CAS Name: 5-[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-2-(ethylthio)-6-hydroxy-1-phenyl-4-pyrimidinone IUPAC Name: 5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-2-ethylsulfanyl-6-hydroxy-1-phenylpyrimidin-4-one Traditional Name: 2-(ethylthio)-6-hydroxy-5-[(1S)-3-keto-4,5-dimethoxy-phthalan-1-yl]-1-phenyl-pyrimidin-4-one Formula: C22H20N2O6S MolecularWeight: 440.469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3

Isomeric SMILES

CCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)[C@@H]3C4=C(C(=C(C=C4)OC)OC)C(=O)O3

InChI

InChI=1S/C22H20N2O6S/c1-4-31-22-23-19(25)16(20(26)24(22)12-8-6-5-7-9-12)17-13-10-11-14(28-2)18(29-3)15(13)21(27)30-17/h5-11,17,26H,4H2,1-3H3/t17-/m0/s1