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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-4-oxidanyl-2-(4-pentoxyphenyl)-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-pentoxyphenyl)-2H-pyrrol-5-one CAS Name: 3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-2-(4-pentoxyphenyl)-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-pentoxyphenyl)-2H-pyrrol-5-one Traditional Name: 5-(4-amoxyphenyl)-4-(benzofuran-2-carbonyl)-1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-hydroxy-3-pyrrolin-2-one Formula: C33H29N3O5S2 MolecularWeight: 611.73046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=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

CCCCCOC1=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/C33H29N3O5S2/c1-2-3-9-18-40-24-16-14-22(15-17-24)28-27(29(37)26-19-23-12-7-8-13-25(23)41-26)30(38)31(39)36(28)32-34-35-33(43-32)42-20-21-10-5-4-6-11-21/h4-8,10-17,19,28,38H,2-3,9,18,20H2,1H3