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(ENDO)-(5R*,5AR*,8AS*)-2-(METHYLAMINO)-5-(4-METHYLPHENYL)-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-METHYLPHENYL)-7-PHENYL-4,5,5A,8A-TETRAHYDROPYROLO-[3,4-G]-BENZOTHIAZOLE-6,8-DIONE
SpectraBase Compound ID AcatThgBAxJ
InChI InChI=1S/C23H21N3O2S/c1-13-8-10-14(11-9-13)16-12-17-20(29-23(24-2)25-17)19-18(16)21(27)26(22(19)28)15-6-4-3-5-7-15/h3-11,16,18-19H,12H2,1-2H3,(H,24,25)/t16-,18+,19+/m0/s1
InChIKey MQQWGSWHJHBQQV-QXAKKESOSA-N
Mol Weight 403.5 g/mol
Molecular Formula C23H21N3O2S
Exact Mass 403.135448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2QPQn9wgeuq
Name (5R*,5aR*,8aS*)-2-(Methylamino)-5-(4-methylphenyl)-7-phenyl-4,5,5a,8a-tetrahydropyrrolo[3,4-g]benzothiazole-6,8-dione
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Formula C23H21N3O2S
InChI InChI=1S/C23H21N3O2S/c1-13-8-10-14(11-9-13)16-12-17-20(29-23(24-2)25-17)19-18(16)21(27)26(22(19)28)15-6-4-3-5-7-15/h3-11,16,18-19H,12H2,1-2H3,(H,24,25)/t16-,18+,19+/m0/s1
InChIKey MQQWGSWHJHBQQV-QXAKKESOSA-N
Molecular Weight 403.500 g/mol
SMILES N(c1sc2[C@@]3(C(N(c4ccccc4)C([C@@]3([C@@](Cc2n1)(c1ccc(cc1)C)[H])[H])=O)=O)[H])C
SPLASH splash10-0udi-1440900000-34e0abf34ea8e64691b6
Source of Spectrum U1-2013-483-4c-endo
Synonyms (5R,5aR,8aS)-2-(methylamino)-7-phenyl-5-(p-tolyl)-5,5a-dihydro-4H-thiazolo[5,4-e]isoindole-6,8(7H,8aH)-dione (5R,5aR,8aS)-2-(methylamino)-7-phenyl-5-(p-tolyl)-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione (5R,5aR,8aS)-2-(methylamino)-5-(4-methylphenyl)-7-phenyl-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione
Wiley ID 1735728