![5-ethyl-N-[(1S)-1-{[(2-furylmethyl)amino]carbonyl}-3-(methylsulfanyl)propyl]-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide](/api/spectrum/3lucyilR92V/structure.png?h=300&w=458 "5-ethyl-N-[(1S)-1-{[(2-furylmethyl)amino]carbonyl}-3-(methylsulfanyl)propyl]-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide")
| SpectraBase Compound ID | 9UKKc1e5RKl |
|---|---|
| InChI | InChI=1S/C23H25N3O6S/c1-3-26-12-16(21(27)15-9-19-20(10-18(15)26)32-13-31-19)22(28)25-17(6-8-33-2)23(29)24-11-14-5-4-7-30-14/h4-5,7,9-10,12,17H,3,6,8,11,13H2,1-2H3,(H,24,29)(H,25,28) |
| InChIKey | WQQVONJVYBEKKE-UHFFFAOYSA-N |
| Mol Weight | 471.53 g/mol |
| Molecular Formula | C23H25N3O6S |
| Exact Mass | 471.146407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3lucyilR92V |
|---|---|
| Name | 5-Ethyl-N-[(1S)-1-{[(2-furylmethyl)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 | 471.146406705 u |
| Formula | C23H25N3O6S |
| InChI | InChI=1S/C23H25N3O6S/c1-3-26-12-16(21(27)15-9-19-20(10-18(15)26)32-13-31-19)22(28)25-17(6-8-33-2)23(29)24-11-14-5-4-7-30-14/h4-5,7,9-10,12,17H,3,6,8,11,13H2,1-2H3,(H,24,29)(H,25,28) |
| InChIKey | WQQVONJVYBEKKE-UHFFFAOYSA-N |
| Molecular Weight | 471.528 g/mol |
| SMILES | N(C(C=1C(C=2C=C3OCOC3=CC2N(C1)CC)=O)=O)C(C(NCC=1OC=CC1)=O)CCSC |