3-(1-benzofuran-2-ylcarbonyl)-2-(4-butoxy-3-methoxy-phenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxidanyl-2H-pyrrol-5-one

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-2-(4-butoxy-3-methoxy-phenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxidanyl-2H-pyrrol-5-one Openeye Name: 3-(benzofuran-2-carbonyl)-2-(4-butoxy-3-methoxy-phenyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one CAS Name: 3-[2-benzofuranyl(oxo)methyl]-2-(4-butoxy-3-methoxyphenyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one IUPAC Name: 3-(1-benzofuran-2-carbonyl)-2-(4-butoxy-3-methoxyphenyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one Traditional Name: 4-(benzofuran-2-carbonyl)-5-(4-butoxy-3-methoxy-phenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyrrolin-2-one Formula: C27H25N3O6S MolecularWeight: 519.5689

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)C)O)C(=O)C4=CC5=CC=CC=C5O4)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)C)O)C(=O)C4=CC5=CC=CC=C5O4)OC

InChI

InChI=1S/C27H25N3O6S/c1-4-5-12-35-19-11-10-17(14-20(19)34-3)23-22(24(31)21-13-16-8-6-7-9-18(16)36-21)25(32)26(33)30(23)27-29-28-15(2)37-27/h6-11,13-14,23,32H,4-5,12H2,1-3H3