(2S)-2-(3-ethoxy-4-oxidanyl-phenyl)-1-(2-methoxyethyl)-3-(5-methylfuran-2-yl)carbonyl-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2S)-2-(3-ethoxy-4-oxidanyl-phenyl)-1-(2-methoxyethyl)-3-(5-methylfuran-2-yl)carbonyl-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-2-(3-ethoxy-4-hydroxy-phenyl)-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-2-(3-ethoxy-4-hydroxyphenyl)-1-(2-methoxyethyl)-3-[(5-methyl-2-furanyl)-oxomethyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-2-(3-ethoxy-4-hydroxyphenyl)-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-5-(3-ethoxy-4-hydroxy-phenyl)-2-keto-1-(2-methoxyethyl)-4-(5-methyl-2-furoyl)-3-pyrrolin-3-olate Formula: C21H22NO7- MolecularWeight: 400.40188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2CCOC)[O-])C(=O)C3=CC=C(O3)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2C(=C(C(=O)N2CCOC)[O-])C(=O)C3=CC=C(O3)C)O

InChI

InChI=1S/C21H23NO7/c1-4-28-16-11-13(6-7-14(16)23)18-17(19(24)15-8-5-12(2)29-15)20(25)21(26)22(18)9-10-27-3/h5-8,11,18,23,25H,4,9-10H2,1-3H3/p-1/t18-/m0/s1