| SpectraBase Spectrum ID |
2pR2bS49AN8 |
| Name |
1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-[2-(acetylthio)ethyl]-2,3,4,9-tetrahydro-2-hydroxy-, ethyl ester, cis- |
| Alternate Name(s) |
cis-1-[2-(acetyllthio)ethyl]-2-hydroxy-3-ethoxycarbonyl-1,2,3,4-tetrahydro-.beta.-carboline
Ethyl (1S,3S)-1-[2-(acetylsulfanyl)ethyl]-2-hydroxy-2,3,4,9-tetrahydro-1H-.beta.-carboline-3-carboxylate |
| CAS Registry Number |
129168-97-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22N2O4S |
| InChI |
InChI=1S/C18H22N2O4S/c1-3-24-18(22)16-10-13-12-6-4-5-7-14(12)19-17(13)15(20(16)23)8-9-25-11(2)21/h4-7,15-16,19,23H,3,8-10H2,1-2H3/t15-,16-/m0/s1 |
| InChIKey |
HRVCBFKPTLUTLD-HOTGVXAUSA-N |
| Molecular Weight |
362.444 g/mol |
| SMILES |
ON1[C@@](Cc2c([C@@]1(CCSC(=O)C)[H])[nH]c1ccccc21)(C(=O)OCC)[H] |
| SPLASH |
splash10-0aor-0795000000-bf4074fabadcba8026c3 |
| Source of Spectrum |
F-46-842-6 |
| Wiley ID |
1349444 |
![1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-[2-(acetylthio)ethyl]-2,3,4,9-tetrahydro-2-hydroxy-, ethyl ester, cis-](/api/spectrum/2pR2bS49AN8/structure.png?h=300&w=458 "1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-[2-(acetylthio)ethyl]-2,3,4,9-tetrahydro-2-hydroxy-, ethyl ester, cis-")
