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(ENDO)-(5R*,5AR*,8AS*)-2-(METHYLAMINO)-5-(4-METHOXYPHENYL)-7-PHENYL-4,5,5A,8A-TETRAHYDROPYROLO-[3,4-G]-BENZOTHIAZOLE-6,8-DIONE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(ENDO)-(5R*,5AR*,8AS*)-2-(METHYLAMINO)-5-(4-METHOXYPHENYL)-7-PHENYL-4,5,5A,8A-TETRAHYDROPYROLO-[3,4-G]-BENZOTHIAZOLE-6,8-DIONE
SpectraBase Compound ID BcTnpePJKWf
InChI InChI=1S/C23H21N3O3S/c1-24-23-25-17-12-16(13-8-10-15(29-2)11-9-13)18-19(20(17)30-23)22(28)26(21(18)27)14-6-4-3-5-7-14/h3-11,16,18-19H,12H2,1-2H3,(H,24,25)/t16-,18+,19+/m0/s1
InChIKey ZMSKZNYDLXKSCW-QXAKKESOSA-N
Mol Weight 419.5 g/mol
Molecular Formula C23H21N3O3S
Exact Mass 419.130363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8SOdaHhyqqh
Name (5R*,5aR*,8aS*)-2-(Methylamino)-5-(4-methoxyphenyl)-7-phenyl-4,5,5a,8a-tetrahydropyrrolo[3,4-g]benzothiazole-6,8-dione
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Formula C23H21N3O3S
InChI InChI=1S/C23H21N3O3S/c1-24-23-25-17-12-16(13-8-10-15(29-2)11-9-13)18-19(20(17)30-23)22(28)26(21(18)27)14-6-4-3-5-7-14/h3-11,16,18-19H,12H2,1-2H3,(H,24,25)/t16-,18+,19+/m0/s1
InChIKey ZMSKZNYDLXKSCW-QXAKKESOSA-N
Molecular Weight 419.499 g/mol
SMILES N(c1sc2[C@@]3(C(N(c4ccccc4)C([C@@]3([C@@](Cc2n1)(c1ccc(cc1)OC)[H])[H])=O)=O)[H])C
SPLASH splash10-00xr-1450900000-dce7ca9525a0f8c3848c
Source of Spectrum U1-2013-484-endo-4d
Synonyms (5R,5aR,8aS)-5-(4-methoxyphenyl)-2-(methylamino)-7-phenyl-5,5a-dihydro-4H-thiazolo[5,4-e]isoindole-6,8(7H,8aH)-dione (5R,5aR,8aS)-5-(4-methoxyphenyl)-2-(methylamino)-7-phenyl-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione
Wiley ID 1735727