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Benzoic acid, 2-[[2-[4-oxo-3-(2-phenylethyl)-2-thioxo-5-thiazolidinyl]acetyl]amino]-, ethyl ester
SpectraBase Compound ID 9YygR0ZEiOP
InChI InChI=1S/C22H22N2O4S2/c1-2-28-21(27)16-10-6-7-11-17(16)23-19(25)14-18-20(26)24(22(29)30-18)13-12-15-8-4-3-5-9-15/h3-11,18H,2,12-14H2,1H3,(H,23,25)
InChIKey BIIFLWHUZCOROI-UHFFFAOYSA-N
Mol Weight 442.55 g/mol
Molecular Formula C22H22N2O4S2
Exact Mass 442.1021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ADTLtQWZo8l
Name Benzoic acid, 2-[[2-[4-oxo-3-(2-phenylethyl)-2-thioxo-5-thiazolidinyl]acetyl]amino]-, ethyl ester
Alternate Name(s) Ethyl 2-{2-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamido}benzoate 2-[[1-oxo-2-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-5-thiazolidinyl]ethyl]amino]benzoic acid ethyl ester Ethyl 2-[[2-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-yl]acetyl]amino]benzoate Ethyl 2-[[2-[4-oxo-3-(2-phenylethyl)-2-thioxo-thiazolidin-5-yl]acetyl]amino]benzoate Ethyl 2-[2-[4-oxidanylidene-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-yl]ethanoylamino]benzoate
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Formula C22H22N2O4S2
InChI InChI=1S/C22H22N2O4S2/c1-2-28-21(27)16-10-6-7-11-17(16)23-19(25)14-18-20(26)24(22(29)30-18)13-12-15-8-4-3-5-9-15/h3-11,18H,2,12-14H2,1H3,(H,23,25)
InChIKey BIIFLWHUZCOROI-UHFFFAOYSA-N
Molecular Weight 442.548 g/mol
SMILES N(c1c(C(=O)OCC)cccc1)C(CC1C(N(C(S1)=S)CCc1ccccc1)=O)=O
SPLASH splash10-014i-5920000000-0caab3e396521d18b39e
Source of Spectrum IY-2-4984-1
Wiley ID 1657824