(1R,9S)-5-(1-Benzothiophen-2-yl)-11-(2-thienylcarbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

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Systematic / IUPAC Name: (1R,9S)-5-(1-Benzothiophen-2-yl)-11-(thiophene-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference10190

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 9-benzo[b]thien-2-yl-1,2,3,4,5,6-hexahydro-3-(2-thienylcarbonyl)-, (1R,5S)-;
NAT11-284160

Formula: C24H20N2O2S2

Spectral Data

(1R,9S)-5-(1-Benzothiophen-2-yl)-11-(2-thienylcarbonyl)-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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1294
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 1/15/2021 2:36:03 PM
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Identificators

InChI InChI=1S/C24H20N2O2S2/c27-23-18(22-11-16-4-1-2-5-20(16)30-22)7-8-19-17-10-15(13-26(19)23)12-25(14-17)24(28)21-6-3-9-29-21/h1-9,11,15,17H,10,12-14H2/t15-,17+/m0/s1
InChI Key YBMPDRPTTHGWRT-DOTOQJQBSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)C4=CC5=CC=CC=C5S4)C(=O)C6=CC=CS6
CAS
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Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 9-benzo[b]thien-2-yl-1,2,3,4,5,6-hexahydro-3-(2-thienylcarbonyl)-, (1R,5S)-;
NAT11-284160

In Other Databases

ChemSpider 10086282
PubChem 11911959