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3-{(E)-[(2E)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenyl benzoate
SpectraBase Compound ID 45vllRai1ck
InChI InChI=1S/C23H16N2O3S/c26-21-20(29-23(25-21)24-18-11-5-2-6-12-18)15-16-8-7-13-19(14-16)28-22(27)17-9-3-1-4-10-17/h1-15H,(H,24,25,26)/b20-15+
InChIKey YNJJTBCRYMMDDE-HMMYKYKNSA-N
Mol Weight 400.45 g/mol
Molecular Formula C23H16N2O3S
Exact Mass 400.088164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BOussnfSURc
Name 3-{(E)-[(2E)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H16N2O3S
InChI InChI=1S/C23H16N2O3S/c26-21-20(29-23(25-21)24-18-11-5-2-6-12-18)15-16-8-7-13-19(14-16)28-22(27)17-9-3-1-4-10-17/h1-15H,(H,24,25,26)/b20-15+
InChIKey YNJJTBCRYMMDDE-HMMYKYKNSA-N
Molecular Weight 400.452 g/mol
SMILES N1C(\C(S\C1=N/c1ccccc1)=C/c1cc(ccc1)OC(=O)c1ccccc1)=O
SPLASH splash10-0a4i-4900000000-b90c04e2c1557f66592c
Synonyms benzoic acid [3-[(E)-(2-anilino-4-oxo-5-thiazolylidene)methyl]phenyl] ester [3-[(E)-(2-anilino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenyl] benzoate [3-[(E)-(2-anilino-4-oxo-thiazol-5-ylidene)methyl]phenyl] benzoate [3-[(E)-(4-oxidanylidene-2-phenylazanyl-1,3-thiazol-5-ylidene)methyl]phenyl] benzoate
Wiley ID 1454105