2-[5-(4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-6-oxidanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[5-(4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-6-oxidanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[5-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-6-hydroxy-4-oxo-1-phenyl-pyrimidin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[5-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-6-hydroxy-4-oxo-1-phenyl-2-pyrimidinyl]thio]-N-phenylacetamide IUPAC Name: 2-[5-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-6-hydroxy-4-oxo-1-phenylpyrimidin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[6-hydroxy-4-keto-5-(3-keto-4,5-dimethoxy-phthalan-1-yl)-1-phenyl-pyrimidin-2-yl]thio]-N-phenyl-acetamide Formula: C28H23N3O7S MolecularWeight: 545.56312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)C3=C(N(C(=NC3=O)SCC(=O)NC4=CC=CC=C4)C5=CC=CC=C5)O)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(OC2=O)C3=C(N(C(=NC3=O)SCC(=O)NC4=CC=CC=C4)C5=CC=CC=C5)O)OC

InChI

InChI=1S/C28H23N3O7S/c1-36-19-14-13-18-21(24(19)37-2)27(35)38-23(18)22-25(33)30-28(31(26(22)34)17-11-7-4-8-12-17)39-15-20(32)29-16-9-5-3-6-10-16/h3-14,23,34H,15H2,1-2H3,(H,29,32)