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4-(5-Ethyl-4-phenyl-1,3-thiazol-2-yl)-10-(1-methylethylidene)-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione

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4-(5-Ethyl-4-phenyl-1,3-thiazol-2-yl)-10-(1-methylethylidene)-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione
SpectraBase Compound ID ENXYxFChOwb
InChI InChI=1S/C23H24N2O2S/c1-4-16-20(13-8-6-5-7-9-13)24-23(28-16)25-21(26)18-14-10-11-15(17(14)12(2)3)19(18)22(25)27/h5-9,14-15,18-19H,4,10-11H2,1-3H3/t14-,15+,18+,19?/m1/s1
InChIKey SJECLOIEXPEKND-GJTOHQASSA-N
Mol Weight 392.52 g/mol
Molecular Formula C23H24N2O2S
Exact Mass 392.155849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 85tqcN0wuKE
Name 4-(5-Ethyl-4-phenyl-1,3-thiazol-2-yl)-10-(1-methylethylidene)-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.155849193 u
Formula C23H24N2O2S
InChI InChI=1S/C23H24N2O2S/c1-4-16-20(13-8-6-5-7-9-13)24-23(28-16)25-21(26)18-14-10-11-15(17(14)12(2)3)19(18)22(25)27/h5-9,14-15,18-19H,4,10-11H2,1-3H3/t14-,15+,18+,19?/m1/s1
InChIKey SJECLOIEXPEKND-GJTOHQASSA-N
Molecular Weight 392.517 g/mol
SMILES C1=CC=C(C=2N=C(N3C([C@@]4([C@]5(CC[C@](C5=C(C)C)([C@]4(C3=O)[H])[H])[H])[H])=O)SC2CC)C=C1