| SpectraBase Spectrum ID |
Ipfp3kSTtMD |
| Name |
Ergoline-8-carboxylic acid, 6-[[(1-oxo-3-phenyl-2-propenyl)amino]thioxomethyl]-, methyl ester, (8.beta.)- |
| Alternate Name(s) |
D-6-cinnamoylaminothiocarbonylergoline
Indolo[4,3-fg]quinoline, ergoline-8-carboxylic acid deriv.
Methyl (8beta)-6-({[(2E)-3-phenyl-2-propenoyl]amino}carbothioyl)ergoline-8-carboxylate |
| CAS Registry Number |
74345-52-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H25N3O3S |
| InChI |
InChI=1S/C26H25N3O3S/c1-32-25(31)18-12-20-19-8-5-9-21-24(19)17(14-27-21)13-22(20)29(15-18)26(33)28-23(30)11-10-16-6-3-2-4-7-16/h2-11,14,18,20,22,27H,12-13,15H2,1H3,(H,28,30,33)/b11-10+/t18-,20?,22-/m1/s1 |
| InChIKey |
SMNCORLPUUZQBZ-BHBOVCNNSA-N |
| Molecular Weight |
459.564 g/mol |
| SMILES |
N(C(N1[C@@]2(Cc3c[nH]c4cccc(C2C[C@](C1)(C(=O)OC)[H])c34)[H])=S)C(\C=C\c1ccccc1)=O |
| SPLASH |
splash10-0g5c-0970000000-526022ee23ba97a0639e |
| Source of Spectrum |
KO-8-15-2 |
| Wiley ID |
1390242 |
![Ergoline-8-carboxylic acid, 6-[[(1-oxo-3-phenyl-2-propenyl)amino]thioxomethyl]-, methyl ester, (8.beta.)-](/api/spectrum/Ipfp3kSTtMD/structure.png?h=300&w=458 "Ergoline-8-carboxylic acid, 6-[[(1-oxo-3-phenyl-2-propenyl)amino]thioxomethyl]-, methyl ester, (8.beta.)-")
