| SpectraBase Spectrum ID |
DZzjMofIw0t |
| Name |
Propanoic acid, 3-(2-(cyano-(3-(2-methoxycarbonylethyl)-4-(methoxycarbonylmethyl)pyrrol-2-yl]methylene)-4-[methoxycarbonylmethyl]-5-thioxo-1,5(2H)-dihydropyrrol-3-yl)-, methyl ester |
| Comments |
Structure changed after expert review |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H27N3O8S |
| InChI |
InChI=1S/C24H27N3O8S/c1-32-18(28)7-5-14-13(9-20(30)34-3)12-26-22(14)17(11-25)23-15(6-8-19(29)33-2)16(24(36)27-23)10-21(31)35-4/h12,26H,5-10H2,1-4H3,(H,27,36)/b23-17- |
| InChIKey |
JZIIOQHYGHDELT-QJOMJCCJSA-N |
| Molecular Weight |
517.553 g/mol |
| SMILES |
[nH]1cc(c(c1\C(=C/1C(CCC(=O)OC)=C(CC(OC)=O)C(N1)=S)C#N)CCC(OC)=O)CC(OC)=O |
| SPLASH |
splash10-00xr-3459330000-993b015c39e6fcb705ab |
| Source of Spectrum |
CM-1999-19752-0 |
| Synonyms |
Methyl 3-[(2E)-2-(cyano[4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methylene)-4-(2-methoxy-2-oxoethyl)-5-thioxo-1,5-dihydro-2H-pyrrol-3-yl]propanoate
Methyl 3-[2-[(E)-cyano-[4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-5-sulfanylidenepyrrol-2-ylidene]methyl]-4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]propanoate |
| Wiley ID |
482106 |
![Propanoic acid, 3-(2-(cyano-(3-(2-methoxycarbonylethyl)-4-(methoxycarbonylmethyl)pyrrol-2-yl]methylene)-4-[methoxycarbonylmethyl]-5-thioxo-1,5(2H)-dihydropyrrol-3-yl)-, methyl ester](/api/spectrum/DZzjMofIw0t/structure.png?h=300&w=458 "Propanoic acid, 3-(2-(cyano-(3-(2-methoxycarbonylethyl)-4-(methoxycarbonylmethyl)pyrrol-2-yl]methylene)-4-[methoxycarbonylmethyl]-5-thioxo-1,5(2H)-dihydropyrrol-3-yl)-, methyl ester")
