| SpectraBase Spectrum ID |
3YdMNU7slmc |
| Name |
2H-Pyrrolo[3,4-d]isothiazole-4,6(3H,5H)-dione, dihydro-3-(1H-indol-3-ylmethyl)-5-methyl-, 1-oxide, (3.alpha.,3a.beta.,6a.beta.)- |
| Alternate Name(s) |
(3S,3aS,6aS)-3-(1H-indol-3-ylmethyl)-5-methyldihydro-2H-pyrrolo[3,4-d]isothiazole-4,6(3H,5H)-dione 1-oxide
4-Indol-3'-ylmethyl-7-methyl-2-thia-6,8-dioxo-3,7-diazobicyclo[3.3.0]octane S-oxide |
| CAS Registry Number |
109574-49-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H15N3O3S |
| InChI |
InChI=1S/C15H15N3O3S/c1-18-14(19)12-11(17-22(21)13(12)15(18)20)6-8-7-16-10-5-3-2-4-9(8)10/h2-5,7,11-13,16-17H,6H2,1H3/t11-,12+,13-,22?/m0/s1 |
| InChIKey |
LUDDJKRZGZGSDU-SQZGGQHFSA-N |
| Molecular Weight |
317.363 g/mol |
| SMILES |
N1[C@@](Cc2c[nH]c3c2cccc3)([C@@]2([C@](S1=O)(C(N(C)C2=O)=O)[H])[H])[H] |
| SPLASH |
splash10-001i-0900000000-4a6a4b3d38f2e0dbad3b |
| Source of Spectrum |
F-44-4949-14 |
| Wiley ID |
1317560 |
![2H-Pyrrolo[3,4-d]isothiazole-4,6(3H,5H)-dione, dihydro-3-(1H-indol-3-ylmethyl)-5-methyl-, 1-oxide, (3.alpha.,3a.beta.,6a.beta.)-](/api/spectrum/3YdMNU7slmc/structure.png?h=300&w=458 "2H-Pyrrolo[3,4-d]isothiazole-4,6(3H,5H)-dione, dihydro-3-(1H-indol-3-ylmethyl)-5-methyl-, 1-oxide, (3.alpha.,3a.beta.,6a.beta.)-")
