(ENDO)-(5R*,5AR*,8AS*)-5-(4-METHYLPHENYL)-7-PHENYL-2-(PHENYLAMINO)-4,5,5A,8A-TETRAHYDROPYROLO-[3,4-G]-BENZOTHIAZOLE-6,8-DIONE - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	KcPvVpAEdFI
InChI	InChI=1S/C28H23N3O2S/c1-17-12-14-18(15-13-17)21-16-22-25(34-28(30-22)29-19-8-4-2-5-9-19)24-23(21)26(32)31(27(24)33)20-10-6-3-7-11-20/h2-15,21,23-24H,16H2,1H3,(H,29,30)/t21-,23+,24+/m0/s1
InChIKey	RIAXTOABDPWVNG-QPTUXGOLSA-N Google Search
Mol Weight	465.57 g/mol
Molecular Formula	C28H23N3O2S
Exact Mass	465.151098 g/mol

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SpectraBase Spectrum ID	5kn7n5yzLKt
Name	(5R,5aR,8aS*)-5-(4-Methylphenyl)-7-phenyl-2-(phenylamino)-4,5,5a,8a-tetrahydropyrrolo[3,4-g]benzothiazole-6,8-dione
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H23N3O2S
InChI	InChI=1S/C28H23N3O2S/c1-17-12-14-18(15-13-17)21-16-22-25(34-28(30-22)29-19-8-4-2-5-9-19)24-23(21)26(32)31(27(24)33)20-10-6-3-7-11-20/h2-15,21,23-24H,16H2,1H3,(H,29,30)/t21-,23+,24+/m0/s1
InChIKey	RIAXTOABDPWVNG-QPTUXGOLSA-N
Molecular Weight	465.571 g/mol
SMILES	N(c1sc2[C@@]3(C(N(c4ccccc4)C([C@@]3([C@@](Cc2n1)(c1ccc(cc1)C)[H])[H])=O)=O)[H])c1ccccc1
SPLASH	splash10-014i-4125900000-2ecdd02040b26e243d17
Source of Spectrum	U1-2013-483-4b-endo
Synonyms	(5R,5aR,8aS)-7-phenyl-2-(phenylamino)-5-(p-tolyl)-5,5a-dihydro-4H-thiazolo[5,4-e]isoindole-6,8(7H,8aH)-dione (5R,5aR,8aS)-2-anilino-5-(4-methylphenyl)-7-phenyl-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione (5R,5aR,8aS)-2-anilino-7-phenyl-5-(p-tolyl)-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione (5R,5aR,8aS)-5-(4-methylphenyl)-7-phenyl-2-phenylazanyl-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione
Wiley ID	1735729