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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(4-nitrophenyl)-4-oxidanyl-2H-pyrrol-5-one Openeye Name: 3-(benzofuran-2-carbonyl)-4-hydroxy-2-(4-nitrophenyl)-1-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2H-pyrrol-5-one CAS Name: 3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-1-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-(4-nitrophenyl)-2H-pyrrol-5-one IUPAC Name: 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(4-nitrophenyl)-2H-pyrrol-5-one Traditional Name: 4-(benzofuran-2-carbonyl)-3-hydroxy-1-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-5-(4-nitrophenyl)-3-pyrrolin-2-one Formula: C29H20N4O6S2 MolecularWeight: 584.6223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC5=CC=CC=C5O4)C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC5=CC=CC=C5O4)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C29H20N4O6S2/c1-16-6-8-17(9-7-16)15-40-29-31-30-28(41-29)32-24(18-10-12-20(13-11-18)33(37)38)23(26(35)27(32)36)25(34)22-14-19-4-2-3-5-21(19)39-22/h2-14,24,35H,15H2,1H3