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Ethyl 4-(2-imino-4-oxo-1,3-thiazolidin-3-yl)benzoate

View entire compound with spectra: 1 MS (GC)

Ethyl 4-(2-imino-4-oxo-1,3-thiazolidin-3-yl)benzoate
SpectraBase Compound ID 7ZB0ISEEm9l
InChI InChI=1S/C12H12N2O3S/c1-2-17-11(16)8-3-5-9(6-4-8)14-10(15)7-18-12(14)13/h3-6,13H,2,7H2,1H3
InChIKey BJPPIMKIMFWYAK-UHFFFAOYSA-N
Mol Weight 264.3 g/mol
Molecular Formula C12H12N2O3S
Exact Mass 264.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9wwOPkIexF0
Name Ethyl 4-(2-imino-4-oxo-1,3-thiazolidin-3-yl)benzoate
CAS Registry Number 335221-73-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O3S
InChI InChI=1S/C12H12N2O3S/c1-2-17-11(16)8-3-5-9(6-4-8)14-10(15)7-18-12(14)13/h3-6,13H,2,7H2,1H3
InChIKey BJPPIMKIMFWYAK-UHFFFAOYSA-N
Molecular Weight 264.299 g/mol
SMILES N=C1N(C(CS1)=O)c1ccc(cc1)C(OCC)=O
SPLASH splash10-03xr-9880000000-e486706b63a1a794f767
Synonyms 4-(2-imino-4-keto-thiazolidin-3-yl)benzoic acid ethyl ester 4-(2-imino-4-oxo-3-thiazolidinyl)benzoic acid ethyl ester 4-(2-Imino-4-oxo-thiazolidin-3-yl)-benzoic acid ethyl ester Ethyl 4-(2-azanylidene-4-oxidanylidene-1,3-thiazolidin-3-yl)benzoate Ethyl 4-(2-imino-4-oxo-thiazolidin-3-yl)benzoate
Wiley ID 1458351