3-(1-benzofuran-2-ylcarbonyl)-2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-4-oxidanyl-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2H-pyrrol-5-one

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-4-oxidanyl-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2H-pyrrol-5-one Openeye Name: 3-(benzofuran-2-carbonyl)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-hydroxy-2H-pyrrol-5-one CAS Name: 3-[2-benzofuranyl(oxo)methyl]-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-hydroxy-1-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-2H-pyrrol-5-one IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-hydroxy-2H-pyrrol-5-one Traditional Name: 4-(benzofuran-2-carbonyl)-1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3-hydroxy-3-pyrrolin-2-one Formula: C29H20BrN3O6S2 MolecularWeight: 650.5196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4)O)C(=O)C5=CC6=CC=CC=C6O5)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4)O)C(=O)C5=CC6=CC=CC=C6O5)Br)O

InChI

InChI=1S/C29H20BrN3O6S2/c1-38-20-13-17(11-18(30)24(20)34)23-22(25(35)21-12-16-9-5-6-10-19(16)39-21)26(36)27(37)33(23)28-31-32-29(41-28)40-14-15-7-3-2-4-8-15/h2-13,23,34,36H,14H2,1H3