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

Systemtic Name: (2S)-3-(1-benzofuran-2-ylcarbonyl)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-4-oxidanyl-2H-pyrrol-5-one Openeye Name: (2S)-3-(benzofuran-2-carbonyl)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one CAS Name: (2S)-3-[2-benzofuranyl(oxo)methyl]-1-[5-[(4-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one IUPAC Name: (2S)-3-(1-benzofuran-2-carbonyl)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one Traditional Name: (5S)-4-(benzofuran-2-carbonyl)-1-[5-[(4-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-hydroxy-5-(4-methoxyphenyl)-3-pyrrolin-2-one Formula: C29H20FN3O5S2 MolecularWeight: 573.614603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=C(C=C4)F)O)C(=O)C5=CC6=CC=CC=C6O5

InChI

InChI=1S/C29H20FN3O5S2/c1-37-20-12-8-17(9-13-20)24-23(25(34)22-14-18-4-2-3-5-21(18)38-22)26(35)27(36)33(24)28-31-32-29(40-28)39-15-16-6-10-19(30)11-7-16/h2-14,24,35H,15H2,1H3/t24-/m0/s1