(2S)-2-(3-ethoxy-4-oxidanyl-phenyl)-3-(furan-2-ylcarbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2S)-2-(3-ethoxy-4-oxidanyl-phenyl)-3-(furan-2-ylcarbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-2-(3-ethoxy-4-hydroxy-phenyl)-3-(furan-2-carbonyl)-1-(5-methylisoxazol-3-yl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-2-(3-ethoxy-4-hydroxyphenyl)-3-[2-furanyl(oxo)methyl]-1-(5-methyl-3-isoxazolyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-5-(3-ethoxy-4-hydroxy-phenyl)-4-(2-furoyl)-2-keto-1-(5-methylisoxazol-3-yl)-3-pyrrolin-3-olate Formula: C21H17N2O7- MolecularWeight: 409.36888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2C3=NOC(=C3)C)[O-])C(=O)C4=CC=CO4)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2C(=C(C(=O)N2C3=NOC(=C3)C)[O-])C(=O)C4=CC=CO4)O

InChI

InChI=1S/C21H18N2O7/c1-3-28-15-10-12(6-7-13(15)24)18-17(19(25)14-5-4-8-29-14)20(26)21(27)23(18)16-9-11(2)30-22-16/h4-10,18,24,26H,3H2,1-2H3/p-1/t18-/m0/s1