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(1R,3R)-4-cyano-1-(4-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazole-3-carboxylic acid ethyl ester
SpectraBase Compound ID 2iXKb5R4nts
InChI InChI=1S/C22H20N2O3S/c1-3-27-22(25)16-12-19(14-8-10-15(26-2)11-9-14)24-18-6-4-5-7-20(18)28-21(24)17(16)13-23/h4-11,16,19H,3,12H2,1-2H3/t16-,19-/m1/s1
InChIKey GVRBXUBHNZTMGD-VQIMIIECSA-N
Mol Weight 392.47 g/mol
Molecular Formula C22H20N2O3S
Exact Mass 392.119464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AFoKgoEqKVm
Name (1R,3R)-4-cyano-1-(4-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazole-3-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N2O3S
InChI InChI=1S/C22H20N2O3S/c1-3-27-22(25)16-12-19(14-8-10-15(26-2)11-9-14)24-18-6-4-5-7-20(18)28-21(24)17(16)13-23/h4-11,16,19H,3,12H2,1-2H3/t16-,19-/m1/s1
InChIKey GVRBXUBHNZTMGD-VQIMIIECSA-N
Molecular Weight 392.473 g/mol
SMILES C=12N([C@@](c3ccc(cc3)OC)(C[C@](C1C#N)(C(=O)OCC)[H])[H])c1ccccc1S2
SPLASH splash10-014i-0209000000-798da4b10b7a6b1f504c
Source of Spectrum F-52-739-4
Synonyms Ethyl (1R,3R)-4-cyano-1-(4-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazole-3-carboxylate
Wiley ID 794769