(EXO)-METHYL-(5R*,6S*)-2-[(2-METHOXYCARBONYLETHYL)-METHYLAMINO]-5-(4-METHYLPHENYL)-4,5,6,7-TETRAHYDROBENZOTHIAZOLE-6-CARBOXYLATE - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	EAWHaCECnnq
InChI	InChI=1S/C21H26N2O4S/c1-13-5-7-14(8-6-13)15-11-17-18(12-16(15)20(25)27-4)28-21(22-17)23(2)10-9-19(24)26-3/h5-8,15-16H,9-12H2,1-4H3/t15-,16+/m0/s1
InChIKey	WWDSGAUQMCECHI-JKSUJKDBSA-N Google Search
Mol Weight	402.51 g/mol
Molecular Formula	C21H26N2O4S
Exact Mass	402.161328 g/mol

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SpectraBase Spectrum ID	7jBQNHuemL1
Name	Methyl (5R,6R)-2-[(2-Methoxycarbonylethyl)methylamino]-5-(4-methylphenyl)-4,5,6,7-tetrahydrobenzothiazole-6-carboxylate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H26N2O4S
InChI	InChI=1S/C21H26N2O4S/c1-13-5-7-14(8-6-13)15-11-17-18(12-16(15)20(25)27-4)28-21(22-17)23(2)10-9-19(24)26-3/h5-8,15-16H,9-12H2,1-4H3/t15-,16+/m0/s1
InChIKey	WWDSGAUQMCECHI-JKSUJKDBSA-N
Molecular Weight	402.509 g/mol
SMILES	c1(nc2C[C@@](c3ccc(cc3)C)([C@@](Cc2s1)(C(=O)OC)[H])[H])N(CCC(=O)OC)C
SPLASH	splash10-0uxu-0813900000-c39e4ed4ee4f0d5b769a
Source of Spectrum	U1-2013-487-8b-exo
Synonyms	(5R,6R)-methyl 2-((3-methoxy-3-oxopropyl)(methyl)amino)-5-(p-tolyl)-4,5,6,7-tetrahydrobenzo[d]thiazole-6-carboxylate (5R,6R)-2-[(3-methoxy-3-oxopropyl)-methylamino]-5-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid methyl ester Methyl (5R,6R)-2-[(3-methoxy-3-oxopropyl)-methylamino]-5-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate Methyl (5R,6R)-2-[(3-methoxy-3-oxo-propyl)-methyl-amino]-5-(p-tolyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate Methyl (5R,6R)-2-[(3-methoxy-3-oxidanylidene-propyl)-methyl-amino]-5-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate
Wiley ID	1735715