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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxidanyl-2H-pyrrol-5-one Openeye Name: 3-(benzofuran-2-carbonyl)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-2H-pyrrol-5-one CAS Name: 3-[2-benzofuranyl(oxo)methyl]-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[5-[(2-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-hydroxy-2H-pyrrol-5-one IUPAC Name: 3-(1-benzofuran-2-carbonyl)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-2H-pyrrol-5-one Traditional Name: 4-(benzofuran-2-carbonyl)-5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-[5-[(2-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-hydroxy-3-pyrrolin-2-one Formula: C29H19BrFN3O6S2 MolecularWeight: 668.510063

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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=C4F)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=C4F)O)C(=O)C5=CC6=CC=CC=C6O5)Br)O

InChI

InChI=1S/C29H19BrFN3O6S2/c1-39-20-12-16(10-17(30)24(20)35)23-22(25(36)21-11-14-6-3-5-9-19(14)40-21)26(37)27(38)34(23)28-32-33-29(42-28)41-13-15-7-2-4-8-18(15)31/h2-12,23,35,37H,13H2,1H3