(2S)-2-(3,4-diethoxyphenyl)-3-(furan-2-ylcarbonyl)-1-(3-imidazol-1-ylpropyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2S)-2-(3,4-diethoxyphenyl)-3-(furan-2-ylcarbonyl)-1-(3-imidazol-1-ylpropyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-2-(3,4-diethoxyphenyl)-3-(furan-2-carbonyl)-1-(3-imidazol-1-ylpropyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-2-(3,4-diethoxyphenyl)-3-[2-furanyl(oxo)methyl]-1-[3-(1-imidazolyl)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-2-(3,4-diethoxyphenyl)-3-(furan-2-carbonyl)-1-(3-imidazol-1-ylpropyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-5-(3,4-diethoxyphenyl)-4-(2-furoyl)-1-(3-imidazol-1-ylpropyl)-2-keto-3-pyrrolin-3-olate Formula: C25H26N3O6- MolecularWeight: 464.49044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCCN3C=CN=C3)[O-])C(=O)C4=CC=CO4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H]2C(=C(C(=O)N2CCCN3C=CN=C3)[O-])C(=O)C4=CC=CO4)OCC

InChI

InChI=1S/C25H27N3O6/c1-3-32-18-9-8-17(15-20(18)33-4-2)22-21(23(29)19-7-5-14-34-19)24(30)25(31)28(22)12-6-11-27-13-10-26-16-27/h5,7-10,13-16,22,30H,3-4,6,11-12H2,1-2H3/p-1/t22-/m0/s1