| SpectraBase Spectrum ID |
GWctHH8PLa7 |
| Name |
2H-Pyrrolo[3,4-d]isothiazole-3-carboxylic acid, hexahydro-3-(1H-indol-3-ylmethyl)-5-methyl-4,6-dioxo-, methyl ester, 1-oxide, (1.alpha.,3.beta.,3a.alpha.,6a.alpha.)-(.+-.)- |
| Alternate Name(s) |
1H-indol-3-ylmethyl (3S,3aR,6aR)-2,5-dimethyl-4,6-dioxohexahydro-2H-pyrrolo[3,4-d]isothiazole-3-carboxylate 1-oxide
Methyl 3,7-diaza-4-indol-3'-ylmethyl-7(n)-methyl-6,8-dioxo-2-thia-cis-bicyclo[3.3.0]octyl-exo-4-carboxylate-2(S)-oxide |
| CAS Registry Number |
119066-57-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H17N3O5S |
| InChI |
InChI=1S/C17H17N3O5S/c1-19-15(21)12-13(20(2)26(24)14(12)16(19)22)17(23)25-8-9-7-18-11-6-4-3-5-10(9)11/h3-7,12-14,18H,8H2,1-2H3/t12-,13-,14+,26?/m0/s1 |
| InChIKey |
XWLBCMGPUTZERA-CSPMUFFXSA-N |
| Molecular Weight |
375.399 g/mol |
| SMILES |
[nH]1c2c(c(c1)COC([C@]1(N([S@@]([C@@]3([C@]1(C(=O)N(C3=O)C)[H])[H])=O)C)[H])=O)cccc2 |
| SPLASH |
splash10-001i-0900000000-fbbbf95df89c10b3b87c |
| Source of Spectrum |
F-44-4950-16 |
| Wiley ID |
1357104 |
![2H-Pyrrolo[3,4-d]isothiazole-3-carboxylic acid, hexahydro-3-(1H-indol-3-ylmethyl)-5-methyl-4,6-dioxo-, methyl ester, 1-oxide, (1.alpha.,3.beta.,3a.alpha.,6a.alpha.)-(.+-.)-](/api/spectrum/GWctHH8PLa7/structure.png?h=300&w=458 "2H-Pyrrolo[3,4-d]isothiazole-3-carboxylic acid, hexahydro-3-(1H-indol-3-ylmethyl)-5-methyl-4,6-dioxo-, methyl ester, 1-oxide, (1.alpha.,3.beta.,3a.alpha.,6a.alpha.)-(.+-.)-")
