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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-2-(4-methoxyphenyl)-4-oxidanyl-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2H-pyrrol-5-one Openeye Name: 3-(benzofuran-2-carbonyl)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one CAS Name: 3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-2-(4-methoxyphenyl)-1-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-2H-pyrrol-5-one IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one Traditional Name: 4-(benzofuran-2-carbonyl)-1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-hydroxy-5-(4-methoxyphenyl)-3-pyrrolin-2-one Formula: C29H21N3O5S2 MolecularWeight: 555.62414

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

Isomeric SMILES

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

InChI

InChI=1S/C29H21N3O5S2/c1-36-20-13-11-18(12-14-20)24-23(25(33)22-15-19-9-5-6-10-21(19)37-22)26(34)27(35)32(24)28-30-31-29(39-28)38-16-17-7-3-2-4-8-17/h2-15,24,34H,16H2,1H3