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

Systemtic Name: (2S)-2-(4-ethoxyphenyl)-3-(furan-2-ylcarbonyl)-1-(3-imidazol-1-ylpropyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-2-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-1-(3-imidazol-1-ylpropyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-2-(4-ethoxyphenyl)-3-[2-furanyl(oxo)methyl]-1-[3-(1-imidazolyl)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-2-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-1-(3-imidazol-1-ylpropyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-4-(2-furoyl)-1-(3-imidazol-1-ylpropyl)-2-keto-5-p-phenetyl-3-pyrrolin-3-olate Formula: C23H22N3O5- MolecularWeight: 420.43788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O5/c1-2-30-17-8-6-16(7-9-17)20-19(21(27)18-5-3-14-31-18)22(28)23(29)26(20)12-4-11-25-13-10-24-15-25/h3,5-10,13-15,20,28H,2,4,11-12H2,1H3/p-1/t20-/m0/s1