5-Phenyl-2-Isoxazoline-3-Carboxylic Acid Ethyl Ester
[CAS# 7064-04-2]

Identification

• Name: 5-Phenyl-2-Isoxazoline-3-Carboxylic Acid Ethyl Ester
• Synonyms: 4-Methyl-2-Oxo-5-[[4-Oxo-3-(Tetrahydrofuran-2-Ylmethyl)-2-Thioxo-Thiazolidin-5-Ylidene]Methyl]-6-(1-Piperidyl)-1-Propyl-Pyridine-3-Carbonitrile; 4-Methyl-2-Oxo-5-[[4-Oxo-3-(2-Tetrahydrofuranylmethyl)-2-Thioxo-5-Thiazolidinylidene]Methyl]-6-(1-Piperidyl)-1-Propyl-3-Pyridinecarbonitrile; 2-Keto-5-[[4-Keto-3-(Tetrahydrofurfuryl)-2-Thioxo-Thiazolidin-5-Ylidene]Methyl]-4-Methyl-6-Piperidino-1-Propyl-Nicotinonitrile
• Molecular Formula: C₂₄H₃₀N₄O₃S₂
• Molecular Weight: 486.65
• CAS Registry Number: 7064-04-2
• SMILES: C(N3C(=C(/C=C/1SC(N(C1=O)CC2OCCC2)=S)C(=C(C3=O)C#N)C)N4CCCCC4)CC
• InChI: 1S/C24H30N4O3S2/c1-3-9-27-21(26-10-5-4-6-11-26)18(16(2)19(14-25)22(27)29)13-20-23(30)28(24(32)33-20)15-17-8-7-12-31-17/h13,17H,3-12,15H2,1-2H3/b20-13-
• InChIKey: JSTWQBNFSIRRAI-MOSHPQCFSA-N