| SpectraBase Spectrum ID |
G2AlL8asXYq |
| Name |
[5-(5-Cyano-3,4-dimethyl-1H-pyrrol-2-ylmethylene)-3,4-dimethyl-5H-pyrrol-2-ylthio][5-(5-cyano-4,4,5-trimethyl-4,5-dihydro-3H-pyrrol-2-ylmethylene)-4,4-dimethyl-pyrrolidene]acetic acid, tert.-butyl ester |
| Alternate Name(s) |
tert-Butyl (2Z)-(((2Z)-2-[(5-cyano-3,4-dimethyl-1H-pyrrol-2-yl)methylene]-3,4-dimethyl-2H-pyrrol-5-yl)sulfanyl)((5Z)-5-[(2-cyano-2,3,3-trimethyl-3,4-dihydro-2H-pyrrol-5-yl)methylene]-4,4-dimethylpyrro |
| Comments |
Structure changed after expert review |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C35H44N6O2S |
| InChI |
InChI=1S/C35H44N6O2S/c1-19-20(2)27(17-36)38-24(19)14-25-21(3)22(4)30(40-25)44-29(31(42)43-32(5,6)7)26-16-33(8,9)28(39-26)13-23-15-34(10,11)35(12,18-37)41-23/h13-14,38-39H,15-16H2,1-12H3/b25-14-,28-13-,29-26- |
| InChIKey |
WDLDQIASHBATIG-VRBRZYCJSA-N |
| Molecular Weight |
612.837 g/mol |
| SMILES |
N1\C(C(C\C1=C\(SC=1C(=C(\C(=C\c2c(C)c(C)c(C#N)[nH]2)N1)C)C)C(=O)OC(C)(C)C)(C)C)=C/C1=NC(C)(C#N)C(C)(C)C1 |
| SPLASH |
splash10-07bu-6491200000-5afdd402daf8c0edfc5c |
| Wiley ID |
1484374 |
![[5-(5-Cyano-3,4-dimethyl-1H-pyrrol-2-ylmethylene)-3,4-dimethyl-5H-pyrrol-2-ylthio][5-(5-cyano-4,4,5-trimethyl-4,5-dihydro-3H-pyrrol-2-ylmethylene)-4,4-dimethyl-pyrrolidene]acetic acid, tert.-butyl ester](/api/spectrum/G2AlL8asXYq/structure.png?h=300&w=458 "[5-(5-Cyano-3,4-dimethyl-1H-pyrrol-2-ylmethylene)-3,4-dimethyl-5H-pyrrol-2-ylthio][5-(5-cyano-4,4,5-trimethyl-4,5-dihydro-3H-pyrrol-2-ylmethylene)-4,4-dimethyl-pyrrolidene]acetic acid, tert.-butyl ester")
