For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-[5-[(E)-[3-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-imino-4-oxo-5-thiazolidinylidene]methyl]-2-furanyl]benzoic acid ethyl ester
SpectraBase Compound ID BulTyzWKnS
InChI InChI=1S/C21H17N5O6S/c1-3-30-20(29)13-6-4-12(5-7-13)15-9-8-14(31-15)10-16-19(28)26(21(22)33-16)18-17(23-11(2)27)24-32-25-18/h4-10,22H,3H2,1-2H3,(H,23,24,27)/b16-10+,22-21?
InChIKey FZPXJIOYRFWQNG-RKXKGQSESA-N
Mol Weight 467.46 g/mol
Molecular Formula C21H17N5O6S
Exact Mass 467.089954 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CThApvUjtuV
Name 4-[5-[(E)-[3-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-imino-4-oxo-5-thiazolidinylidene]methyl]-2-furanyl]benzoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N5O6S
InChI InChI=1S/C21H17N5O6S/c1-3-30-20(29)13-6-4-12(5-7-13)15-9-8-14(31-15)10-16-19(28)26(21(22)33-16)18-17(23-11(2)27)24-32-25-18/h4-10,22H,3H2,1-2H3,(H,23,24,27)/b16-10+,22-21?
InChIKey FZPXJIOYRFWQNG-RKXKGQSESA-N
Molecular Weight 467.456 g/mol
SMILES N(c1c(N2C(S\C(C2=O)=C/c2oc(-c3ccc(C(=O)OCC)cc3)cc2)=N)non1)C(=O)C
SPLASH splash10-00dl-3690000000-6aa60da862ee3714e942
Synonyms 4-[5-[(E)-[3-(4-acetamidofurazan-3-yl)-2-imino-4-keto-thiazolidin-5-ylidene]methyl]-2-furyl]benzoic acid ethyl ester Ethyl 4-[5-[(E)-[3-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-azanylidene-4-oxidanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoate Ethyl 4-[5-[(E)-[3-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoate Ethyl 4-[5-[(E)-[3-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-imino-4-oxo-thiazolidin-5-ylidene]methyl]-2-furyl]benzoate
Wiley ID 1462724