| SpectraBase Spectrum ID |
6TqJORDRmBU |
| Name |
5-[(E)-Cyano-(3,3-dimethyl-5-sulfanylidene-2-pyrrolidinylidene)methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
489.193356898 u |
| Formula |
C24H31N3O6S |
| InChI |
InChI=1S/C24H31N3O6S/c1-23(2,3)33-22(30)20-13(8-9-17(28)31-6)14(10-18(29)32-7)19(27-20)15(12-25)21-24(4,5)11-16(34)26-21/h27H,8-11H2,1-7H3,(H,26,34)/b21-15- |
| InChIKey |
GBSBWFRUAWLLFT-QNGOZBTKSA-N |
| Molecular Weight |
489.587 g/mol |
| SMILES |
C1(\C(=C\2NC(=S)CC2(C)C)C#N)=C(C(CCC(=O)OC)=C(N1)C(OC(C)(C)C)=O)CC(=O)OC |
![5-[(E)-cyano-(3,3-dimethyl-5-sulfanylidene-2-pyrrolidinylidene)methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester](/api/spectrum/6TqJORDRmBU/structure.png?h=300&w=458 "5-[(E)-cyano-(3,3-dimethyl-5-sulfanylidene-2-pyrrolidinylidene)methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester")
