(2S)-3-(1-benzofuran-2-ylcarbonyl)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(3-methoxy-4-oxidanyl-phenyl)-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-(3-methoxy-4-oxidanyl-phenyl)-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-hydroxy-3-methoxy-phenyl)-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-hydroxy-3-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-hydroxy-3-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-hydroxy-3-methoxy-phenyl)-3-pyrrolin-2-one Formula: C29H20FN3O6S2 MolecularWeight: 589.614003

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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=C(C=C4)F)O)C(=O)C5=CC6=CC=CC=C6O5)O

Isomeric SMILES

COC1=C(C=CC(=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)O

InChI

InChI=1S/C29H20FN3O6S2/c1-38-21-13-17(8-11-19(21)34)24-23(25(35)22-12-16-4-2-3-5-20(16)39-22)26(36)27(37)33(24)28-31-32-29(41-28)40-14-15-6-9-18(30)10-7-15/h2-13,24,34,36H,14H2,1H3/t24-/m0/s1