ethyl 4-[(2S)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2-pyridin-2-yl-2H-pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[(2S)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2-pyridin-2-yl-2H-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[(2S)-3-acetyl-4-hydroxy-5-oxo-2-(2-pyridyl)-2H-pyrrol-1-yl]benzoate CAS Name: 4-[(2S)-3-acetyl-4-hydroxy-5-oxo-2-(2-pyridinyl)-2H-pyrrol-1-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-3-acetyl-4-hydroxy-5-oxo-2-pyridin-2-yl-2H-pyrrol-1-yl]benzoate Traditional Name: 4-[(5S)-4-acetyl-3-hydroxy-2-keto-5-(2-pyridyl)-3-pyrrolin-1-yl]benzoic acid ethyl ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(C(=C(C2=O)O)C(=O)C)C3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2[C@@H](C(=C(C2=O)O)C(=O)C)C3=CC=CC=N3

InChI

InChI=1S/C20H18N2O5/c1-3-27-20(26)13-7-9-14(10-8-13)22-17(15-6-4-5-11-21-15)16(12(2)23)18(24)19(22)25/h4-11,17,24H,3H2,1-2H3/t17-/m1/s1