Systematic / IUPAC Name: (1R,9S)-11-(2-Methylsulfanylacetyl)-3-thiophen-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference8871
Other Names:
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-[2-(methylthio)acetyl]-11-(2-thienyl)-, (1R,5S)-;
NAT11-287738
Formula: C18H20N2O2S2
(1R,9S)-11-[(Methylsulfanyl)acetyl]-3-(2-thienyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
No. of Spectral Trees | 1 |
No. of Spectra | 889 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 8/22/2019 7:52:43 AM |
InChI | InChI=1S/C18H20N2O2S2/c1-23-11-17(22)19-8-12-7-13(10-19)18-14(15-3-2-6-24-15)4-5-16(21)20(18)9-12/h2-6,12-13H,7-11H2,1H3/t12-,13+/m0/s1 |
InChI Key | FZKBPAWEPLRVKP-QWHCGFSZSA-N |
Canonical SMILES | CSCC(=O)N1CC2CC(C1)C3=C(C=CC(=O)N3C2)C4=CC=CS4 |
CAS | |
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Other Names |
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-[2-(methylthio)acetyl]-11-(2-thienyl)-, (1R,5S)-; NAT11-287738 |