![(ENDO)-(5R*,5AR*,8AS*)-2-AMINO-5-(4-METHYLPHENYL)-7-PHENYL-4,5,5A,8A-TETRAHYDROPYROLO-[3,4-G]-BENZOTHIAZOLE-6,8-DIONE](/api/spectrum/EimyWHezq1d/structure.png?h=300&w=458 "(ENDO)-(5R*,5AR*,8AS*)-2-AMINO-5-(4-METHYLPHENYL)-7-PHENYL-4,5,5A,8A-TETRAHYDROPYROLO-[3,4-G]-BENZOTHIAZOLE-6,8-DIONE")
| SpectraBase Compound ID | 8c5ag2aYeMR |
|---|---|
| InChI | InChI=1S/C22H19N3O2S/c1-12-7-9-13(10-8-12)15-11-16-19(28-22(23)24-16)18-17(15)20(26)25(21(18)27)14-5-3-2-4-6-14/h2-10,15,17-18H,11H2,1H3,(H2,23,24)/t15-,17+,18+/m0/s1 |
| InChIKey | JFIOTIFSSVKUKO-CGTJXYLNSA-N |
| Mol Weight | 389.47 g/mol |
| Molecular Formula | C22H19N3O2S |
| Exact Mass | 389.119798 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EimyWHezq1d |
|---|---|
| Name | (5R*,5aR*,8aS*)-2-Amino-5-(4-methylphenyl)-7-phenyl-4,5,5a,8a-tetrahydropyrrolo[3,4-g]benzothiazole-6,8-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H19N3O2S |
| InChI | InChI=1S/C22H19N3O2S/c1-12-7-9-13(10-8-12)15-11-16-19(28-22(23)24-16)18-17(15)20(26)25(21(18)27)14-5-3-2-4-6-14/h2-10,15,17-18H,11H2,1H3,(H2,23,24)/t15-,17+,18+/m0/s1 |
| InChIKey | JFIOTIFSSVKUKO-CGTJXYLNSA-N |
| Molecular Weight | 389.473 g/mol |
| SMILES | Nc1sc2[C@@]3(C(N(c4ccccc4)C([C@@]3([C@@](Cc2n1)(c1ccc(cc1)C)[H])[H])=O)=O)[H] |
| SPLASH | splash10-000f-1697000000-f1503e167f46dce96899 |
| Source of Spectrum | U1-2013-483-endo-4a |
| Synonyms | (5R*,5aR*,8aS*)-2-Amino-5-(4-methylphenyl)-7-phenyl-4,5,5a,8atetrahydropyrrolo[3,4-g]benzothiazole-6,8-dione (5R,5aR,8aS)-2-amino-7-phenyl-5-(p-tolyl)-5,5a-dihydro-4H-thiazolo[5,4-e]isoindole-6,8(7H,8aH)-dione (5R,5aR,8aS)-2-amino-5-(4-methylphenyl)-7-phenyl-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione (5R,5aR,8aS)-2-amino-7-phenyl-5-(p-tolyl)-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione (5R,5aR,8aS)-2-azanyl-5-(4-methylphenyl)-7-phenyl-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione |
| Wiley ID | 1735730 |