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(4S,4'S)-4-(1-Methoxycarbonyl-1-methylethyl)-3-(4'-tert-butyl-2'-thioxo-1',3'-thiazolidine-3'-carbonyl)-4H-pyridine-1-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(4S,4'S)-4-(1-Methoxycarbonyl-1-methylethyl)-3-(4'-tert-butyl-2'-thioxo-1',3'-thiazolidine-3'-carbonyl)-4H-pyridine-1-carboxylic acid methyl ester
SpectraBase Compound ID DM58cc357po
InChI InChI=1S/C20H28N2O5S2/c1-19(2,3)14-11-29-18(28)22(14)15(23)12-10-21(17(25)27-7)9-8-13(12)20(4,5)16(24)26-6/h8-10,13-14H,11H2,1-7H3/t13-,14?/m0/s1
InChIKey BQMJTYHKKYWRBE-LSLKUGRBSA-N
Mol Weight 440.57 g/mol
Molecular Formula C20H28N2O5S2
Exact Mass 440.143964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HtVm79W6lRg
Name (4S,4'S)-4-(1-Methoxycarbonyl-1-methylethyl)-3-(4'-tert-butyl-2'-thioxo-1',3'-thiazolidine-3'-carbonyl)-4H-pyridine-1-carboxylic acid methyl ester
Alternate Name(s) Methyl (4S)-3-[(4-tert-butyl-2-thioxo-1,3-thiazolidin-3-yl)carbonyl]-4-(2-methoxy-1,1-dimethyl-2-oxoethyl)-1(4H)-pyridinecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28N2O5S2
InChI InChI=1S/C20H28N2O5S2/c1-19(2,3)14-11-29-18(28)22(14)15(23)12-10-21(17(25)27-7)9-8-13(12)20(4,5)16(24)26-6/h8-10,13-14H,11H2,1-7H3/t13-,14?/m0/s1
InChIKey BQMJTYHKKYWRBE-LSLKUGRBSA-N
Molecular Weight 440.573 g/mol
SMILES C1(C(N2C(SCC2C(C)(C)C)=S)=O)=CN(C(=O)OC)C=C[C@@]1(C(C(=O)OC)(C)C)[H]
SPLASH splash10-052r-0609000000-02ba644f7daf266596b9
Source of Spectrum KC-57-8945-8
Wiley ID 1626212