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(4S,4'S)-4-Benzyl-3-(2'-thioxo-4'-phenyl-1',3'-thiazolidine-3'-carbonyl)-4H-pyridine-1-carboxylic acid methyl ester
SpectraBase Compound ID AvKf7bZvwyZ
InChI InChI=1S/C24H22N2O3S2/c1-29-23(28)25-13-12-19(14-17-8-4-2-5-9-17)20(15-25)22(27)26-21(16-31-24(26)30)18-10-6-3-7-11-18/h2-13,15,19,21H,14,16H2,1H3/t19-,21?/m1/s1
InChIKey UZEWCWDTXHORHM-YMBRHYMPSA-N
Mol Weight 450.57 g/mol
Molecular Formula C24H22N2O3S2
Exact Mass 450.107185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4KP751N02Nb
Name (4S,4'S)-4-Benzyl-3-(2'-thioxo-4'-phenyl-1',3'-thiazolidine-3'-carbonyl)-4H-pyridine-1-carboxylic acid methyl ester
Alternate Name(s) Methyl (4S)-4-benzyl-3-[(4-phenyl-2-thioxo-1,3-thiazolidin-3-yl)carbonyl]-1(4H)-pyridinecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22N2O3S2
InChI InChI=1S/C24H22N2O3S2/c1-29-23(28)25-13-12-19(14-17-8-4-2-5-9-17)20(15-25)22(27)26-21(16-31-24(26)30)18-10-6-3-7-11-18/h2-13,15,19,21H,14,16H2,1H3/t19-,21?/m1/s1
InChIKey UZEWCWDTXHORHM-YMBRHYMPSA-N
Molecular Weight 450.571 g/mol
SMILES C(N1C(SCC1c1ccccc1)=S)(C1=CN(C(=O)OC)C=C[C@@]1(Cc1ccccc1)[H])=O
SPLASH splash10-0a4i-0987000000-1a9c0bf6cb52eda5d306
Source of Spectrum KC-57-8946-12
Wiley ID 1626201