| SpectraBase Spectrum ID |
LVWfSBD2THB |
| Name |
1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-[2-methyl-2-(phenylthio)propyl]-, methyl ester, (1S-cis)- |
| CAS Registry Number |
111427-85-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H26N2O2S |
| InChI |
InChI=1S/C23H26N2O2S/c1-23(2,28-15-9-5-4-6-10-15)14-20-21-17(13-19(24-20)22(26)27-3)16-11-7-8-12-18(16)25-21/h4-12,19-20,24-25H,13-14H2,1-3H3/t19-,20-/m0/s1 |
| InChIKey |
TUQJNFDKIIIXRW-PMACEKPBSA-N |
| Molecular Weight |
394.533 g/mol |
| SMILES |
[nH]1c2ccccc2c2c1[C@@](N[C@@](C2)(C(=O)OC)[H])(CC(Sc1ccccc1)(C)C)[H] |
| SPLASH |
splash10-004i-0092000000-5716a136c8de69cbf4d0 |
| Source of Spectrum |
F-44-368-17 |
| Synonyms |
endo-1-(2-methyl-2-phenylthioprop-1-yl)-3-(methoxycarbonyl)-1,2,3,4-tetrahydro-.beta.-carboline
methyl (1S,3S)-1-[2-methyl-2-(phenylsulfanyl)propyl]-2,3,4,9-tetrahydro-1H-.beta.-carboline-3-carboxylate |
| Wiley ID |
1366708 |
![1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-[2-methyl-2-(phenylthio)propyl]-, methyl ester, (1S-cis)-](/api/spectrum/LVWfSBD2THB/structure.png?h=300&w=458 "1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-[2-methyl-2-(phenylthio)propyl]-, methyl ester, (1S-cis)-")
