| SpectraBase Spectrum ID |
94anGkciRmt |
| 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 |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
N1C(CC(\C1=C/(c1c(c(c([nH]1)C(OC(C)(C)C)=O)CCC(=O)OC)CC(=O)OC)C#N)(C)C)=S |
| SPLASH |
splash10-001r-0000900000-ee6a18ca5fb1477ccd8a |
| Source of Spectrum |
KC-1992-2186-69 |
| Synonyms |
5-[(E)-cyano-(3,3-dimethyl-5-thioxo-pyrrolidin-2-ylidene)methyl]-4-(2-keto-2-methoxy-ethyl)-3-(3-keto-3-methoxy-propyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester
tert-butyl 5-[(E)-cyano-(3,3-dimethyl-5-sulfanylidene-pyrrolidin-2-ylidene)methyl]-4-(2-methoxy-2-oxidanylidene-ethyl)-3-(3-methoxy-3-oxidanylidene-propyl)-1H-pyrrole-2-carboxylate
tert-butyl 5-[(E)-cyano-(3,3-dimethyl-5-sulfanylidenepyrrolidin-2-ylidene)methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate
tert-butyl 5-[(E)-cyano-(3,3-dimethyl-5-thioxo-pyrrolidin-2-ylidene)methyl]-4-(2-methoxy-2-oxo-ethyl)-3-(3-methoxy-3-oxo-propyl)-1H-pyrrole-2-carboxylate |
| Wiley ID |
776875 |
![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/94anGkciRmt/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")
