N-[(1S,11aS)-5,11-Dioxo-7-(2-thienyl)-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-1-yl]-2-(methylsulfanyl)acetamide

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Systematic / IUPAC Name: N-[(6aS,7S)-6,11-Dioxo-2-thiophen-2-yl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-2-methylsulfanylacetamide

ID: Reference12313

Other Names: NAT3-328153

Formula: C19H19N3O3S2

Spectral Data

N-[(1S,11aS)-5,11-Dioxo-7-(2-thienyl)-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-1-yl]-2-(methylsulfanyl)acetamide 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 1549
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/27/2023 12:35:19 PM
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Identificators

InChI InChI=1S/C19H19N3O3S2/c1-26-10-16(23)20-14-6-7-22-17(14)18(24)21-13-5-4-11(9-12(13)19(22)25)15-3-2-8-27-15/h2-5,8-9,14,17H,6-7,10H2,1H3,(H,20,23)(H,21,24)/t14-,17-/m0/s1
InChI Key KTUUKEYOTGGETE-YOEHRIQHSA-N
Canonical SMILES CSCC(=O)NC1CCN2C1C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC=CS4
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Other Names NAT3-328153

In Other Databases

ChemSpider 10115810
PubChem 11941491