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(ENDO)-METHYL-(5R*,6S*)-2-METHYLAMINO-5-(4-METHYLPHENYL)-4,5,6,7-TETRAHYDROBENZOTHIAZOLE-6-CARBOXYLATE
SpectraBase Compound ID 4M2dYt01ppA
InChI InChI=1S/C17H20N2O2S/c1-10-4-6-11(7-5-10)12-8-14-15(22-17(18-2)19-14)9-13(12)16(20)21-3/h4-7,12-13H,8-9H2,1-3H3,(H,18,19)/t12-,13-/m0/s1
InChIKey ZCGUSKNPHPZLQF-STQMWFEESA-N
Mol Weight 316.42 g/mol
Molecular Formula C17H20N2O2S
Exact Mass 316.124549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjIYuOxpd3O
Name Methyl (5R*,6S*)-2-Methylamino-5-(4-methylphenyl)-4,5,6,7-tetrahydrobenzothiazole-6-carboxylate
Alternate Name(s) (5R,6S)-methyl 2-(methylamino)-5-(p-tolyl)-4,5,6,7-tetrahydrobenzo[d]thiazole-6-carboxylate (5R,6S)-2-(methylamino)-5-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid methyl ester Methyl (5R,6S)-2-(methylamino)-5-(p-tolyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate Methyl (5R,6S)-2-(methylamino)-5-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate
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Formula C17H20N2O2S
InChI InChI=1S/C17H20N2O2S/c1-10-4-6-11(7-5-10)12-8-14-15(22-17(18-2)19-14)9-13(12)16(20)21-3/h4-7,12-13H,8-9H2,1-3H3,(H,18,19)/t12-,13-/m0/s1
InChIKey ZCGUSKNPHPZLQF-STQMWFEESA-N
Molecular Weight 316.419 g/mol
SMILES N(c1nc2c(s1)C[C@@]([C@@](C2)(c1ccc(cc1)C)[H])(C(=O)OC)[H])C
SPLASH splash10-0a4i-0901000000-239317d08ddfd52dfcb4
Source of Spectrum U1-2013-487-8a-endo
Wiley ID 1735717