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

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

ID: Reference9352

Other Names: Acetamide, N-[(2S,11aS)-2,3,5,10,11,11a-hexahydro-5,11-dioxo-7-(2-thienyl)-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl]-2-methoxy-;
NAT3-328445

Formula: C19H19N3O4S

Spectral Data

N-[(2S,11aS)-5,11-Dioxo-7-(2-thienyl)-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl]-2-methoxyacetamide 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 2183
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 2/5/2020 2:20:28 PM
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Identificators

InChI InChI=1S/C19H19N3O4S/c1-26-10-17(23)20-12-8-15-18(24)21-14-5-4-11(16-3-2-6-27-16)7-13(14)19(25)22(15)9-12/h2-7,12,15H,8-10H2,1H3,(H,20,23)(H,21,24)/t12-,15-/m0/s1
InChI Key FTZHXGSMZFWOKD-WFASDCNBSA-N
Canonical SMILES COCC(=O)NC1CC2C(=O)NC3=C(C=C(C=C3)C4=CC=CS4)C(=O)N2C1
CAS
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Other Names Acetamide, N-[(2S,11aS)-2,3,5,10,11,11a-hexahydro-5,11-dioxo-7-(2-thienyl)-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl]-2-methoxy-;
NAT3-328445

In Other Databases

PubChem 9423973
ChemSpider 7707690