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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-4-oxidanyl-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-3-yl-2H-pyrrol-5-one Openeye Name: 3-(benzofuran-2-carbonyl)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-2-(3-pyridyl)-2H-pyrrol-5-one CAS Name: 3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-1-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-2-(3-pyridinyl)-2H-pyrrol-5-one IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one Traditional Name: 4-(benzofuran-2-carbonyl)-1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-hydroxy-5-(3-pyridyl)-3-pyrrolin-2-one Formula: C27H18N4O4S2 MolecularWeight: 526.58622

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Descriptors Computed from Structure

Canonical SMILES:

C1=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

C1=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/C27H18N4O4S2/c32-23(20-13-17-9-4-5-11-19(17)35-20)21-22(18-10-6-12-28-14-18)31(25(34)24(21)33)26-29-30-27(37-26)36-15-16-7-2-1-3-8-16/h1-14,22,33H,15H2