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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxidanyl-2-pyridin-3-yl-2H-pyrrol-5-one Openeye Name: 3-(benzofuran-2-carbonyl)-4-hydroxy-1-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(3-pyridyl)-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-(3-pyridinyl)-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-pyridin-3-yl-2H-pyrrol-5-one Traditional Name: 4-(benzofuran-2-carbonyl)-3-hydroxy-1-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-5-(3-pyridyl)-3-pyrrolin-2-one Formula: C28H20N4O4S2 MolecularWeight: 540.6128

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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=CN=CC=C6

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=CN=CC=C6

InChI

InChI=1S/C28H20N4O4S2/c1-16-8-10-17(11-9-16)15-37-28-31-30-27(38-28)32-23(19-6-4-12-29-14-19)22(25(34)26(32)35)24(33)21-13-18-5-2-3-7-20(18)36-21/h2-14,23,34H,15H2,1H3