| SpectraBase Spectrum ID |
5ff0ZuvWft5 |
| Name |
Ergoline-8-carboxylic acid, 6-[(benzoylamino)thioxomethyl]-, methyl ester, (8.beta.)- |
| Alternate Name(s) |
D-6-benzoylaminothiocarbonylergoline
Indolo[4,3-fg]quinoline, ergoline-8-carboxylic acid deriv.
Methyl (8beta)-6-[(benzoylamino)carbothioyl]ergoline-8-carboxylate |
| CAS Registry Number |
74345-51-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H23N3O3S |
| InChI |
InChI=1S/C24H23N3O3S/c1-30-23(29)16-10-18-17-8-5-9-19-21(17)15(12-25-19)11-20(18)27(13-16)24(31)26-22(28)14-6-3-2-4-7-14/h2-9,12,16,18,20,25H,10-11,13H2,1H3,(H,26,28,31)/t16-,18?,20-/m1/s1 |
| InChIKey |
ZZPMFXKIKDZJDO-OPZSGVPXSA-N |
| Molecular Weight |
433.526 g/mol |
| SMILES |
N(C(N1[C@@]2(Cc3c[nH]c4cccc(C2C[C@](C1)(C(=O)OC)[H])c34)[H])=S)C(=O)c1ccccc1 |
| SPLASH |
splash10-0abc-0960000000-413a81ada1fdfe4c3fa5 |
| Source of Spectrum |
KO-8-15-2 |
| Wiley ID |
1382673 |
![Ergoline-8-carboxylic acid, 6-[(benzoylamino)thioxomethyl]-, methyl ester, (8.beta.)-](/api/spectrum/5ff0ZuvWft5/structure.png?h=300&w=458 "Ergoline-8-carboxylic acid, 6-[(benzoylamino)thioxomethyl]-, methyl ester, (8.beta.)-")
