Ethyl 1-Methyl (1S*,3R*)-4-Cyano-2,3-dihydro-1H-pyrido[2,1-b]benzothiazole-1,3-dicarboxylate

SpectraBase Compound ID	1bpEIslxURx
InChI	InChI=1S/C17H16N2O4S/c1-3-23-16(20)10-8-13(17(21)22-2)19-12-6-4-5-7-14(12)24-15(19)11(10)9-18/h4-7,10,13H,3,8H2,1-2H3/t10-,13+/m1/s1
InChIKey	SPFJPXYVABGGDT-MFKMUULPSA-N Google Search
Mol Weight	344.39 g/mol
Molecular Formula	C17H16N2O4S
Exact Mass	344.083078 g/mol

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SpectraBase Spectrum ID	5mpaDsRRGdn
Name	Ethyl 1-Methyl (1S,3R)-4-Cyano-2,3-dihydro-1H-pyrido[2,1-b]benzothiazole-1,3-dicarboxylate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H16N2O4S
InChI	InChI=1S/C17H16N2O4S/c1-3-23-16(20)10-8-13(17(21)22-2)19-12-6-4-5-7-14(12)24-15(19)11(10)9-18/h4-7,10,13H,3,8H2,1-2H3/t10-,13+/m1/s1
InChIKey	SPFJPXYVABGGDT-MFKMUULPSA-N
Molecular Weight	344.385 g/mol
SMILES	C1=2N([C@@](C(=O)OC)([H])C[C@](C2C#N)(C(=O)OCC)[H])c2ccccc2S1
SPLASH	splash10-0229-0091000000-c94ff072d63d70f74981
Source of Spectrum	F-52-740-4
Synonyms	3-Ethyl 1-methyl (1S,3R)-4-cyano-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazole-1,3-dicarboxylate Ethyl 1-Methyl (1R,3R)-4-Cyano-2,3-dihydro-1H-pyrido[2,1-b]benzothiazole-1,3-dicarboxylate
Wiley ID	794760