For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

5-ethyl-N-[(1S)-1-{[(2-hydroxyethyl)amino]carbonyl}-3-(methylsulfanyl)propyl]-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide

View entire compound with spectra: 2 NMR

5-ethyl-N-[(1S)-1-{[(2-hydroxyethyl)amino]carbonyl}-3-(methylsulfanyl)propyl]-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
SpectraBase Compound ID ExDjEqT1k55
InChI InChI=1S/C20H25N3O6S/c1-3-23-10-13(18(25)12-8-16-17(9-15(12)23)29-11-28-16)19(26)22-14(4-7-30-2)20(27)21-5-6-24/h8-10,14,24H,3-7,11H2,1-2H3,(H,21,27)(H,22,26)
InChIKey UUNLFYKGFLUXDV-UHFFFAOYSA-N
Mol Weight 435.5 g/mol
Molecular Formula C20H25N3O6S
Exact Mass 435.146407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1hH7H6IO45o
Name 5-Ethyl-N-[(1S)-1-{[(2-hydroxyethyl)amino]carbonyl}-3-(methylsulfanyl)propyl]-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-G]quinoline-7-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 435.146406705 u
Formula C20H25N3O6S
InChI InChI=1S/C20H25N3O6S/c1-3-23-10-13(18(25)12-8-16-17(9-15(12)23)29-11-28-16)19(26)22-14(4-7-30-2)20(27)21-5-6-24/h8-10,14,24H,3-7,11H2,1-2H3,(H,21,27)(H,22,26)
InChIKey UUNLFYKGFLUXDV-UHFFFAOYSA-N
Molecular Weight 435.495 g/mol
SMILES N(C(C=1C(C=2C=C3OCOC3=CC2N(C1)CC)=O)=O)C(C(=O)NCCO)CCSC