3-((2Z)-2-((2Z)-2-[1-(2-Hydroxyethyl)-5-oxo-3-propyl-2-thioxo-4-imidazolidinylidene]ethylidene)-1,3-benzoxazol-3(2H)-yl)propanoic acid

SpectraBase Compound ID	3Kg8ppXDNCN
InChI	InChI=1S/C20H23N3O5S/c1-2-10-22-15(19(27)23(12-13-24)20(22)29)7-8-17-21(11-9-18(25)26)14-5-3-4-6-16(14)28-17/h3-8,24H,2,9-13H2,1H3,(H,25,26)/b15-7+,17-8+
InChIKey	JOROOBAQOSGEII-GXZANXLRSA-N Google Search
Mol Weight	417.48 g/mol
Molecular Formula	C20H23N3O5S
Exact Mass	417.135842 g/mol

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SpectraBase Spectrum ID	GofQGqkitV7
Name	3-((2Z)-2-((2Z)-2-[1-(2-Hydroxyethyl)-5-oxo-3-propyl-2-thioxo-4-imidazolidinylidene]ethylidene)-1,3-benzoxazol-3(2H)-yl)propanoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H23N3O5S
InChI	InChI=1S/C20H23N3O5S/c1-2-10-22-15(19(27)23(12-13-24)20(22)29)7-8-17-21(11-9-18(25)26)14-5-3-4-6-16(14)28-17/h3-8,24H,2,9-13H2,1H3,(H,25,26)/b15-7+,17-8+
InChIKey	JOROOBAQOSGEII-GXZANXLRSA-N
Molecular Weight	417.480 g/mol
SMILES	OC(CCN1\C(=C/C=C\2N(C(N(CCO)C2=O)=S)CCC)Oc2ccccc12)=O
SPLASH	splash10-0006-9300000000-18655e5e861da1d63270
Synonyms	3-(2-{2-[1-(2-hydroxyethyl)-5-oxo-3-propyl-2-thioxo-4-imidazolidinylidene]ethylidene}-1,3-benzoxazol-3(2H)-yl)propanoic acid 3-[(2E)-2-[(2E)-2-[1-(2-hydroxyethyl)-5-keto-3-propyl-2-thioxo-imidazolidin-4-ylidene]ethylidene]-1,3-benzoxazol-3-yl]propionic acid 3-[(2E)-2-[(2E)-2-[1-(2-hydroxyethyl)-5-oxidanylidene-3-propyl-2-sulfanylidene-imidazolidin-4-ylidene]ethylidene]-1,3-benzoxazol-3-yl]propanoic acid 3-[(2E)-2-[(2E)-2-[1-(2-hydroxyethyl)-5-oxo-3-propyl-2-sulfanylidene-4-imidazolidinylidene]ethylidene]-1,3-benzoxazol-3-yl]propanoic acid 3-[(2E)-2-[(2E)-2-[1-(2-hydroxyethyl)-5-oxo-3-propyl-2-sulfanylideneimidazolidin-4-ylidene]ethylidene]-1,3-benzoxazol-3-yl]propanoic acid 3-[(2E)-2-[(2E)-2-[1-(2-hydroxyethyl)-5-oxo-3-propyl-2-thioxo-imidazolidin-4-ylidene]ethylidene]-1,3-benzoxazol-3-yl]propanoic acid
Wiley ID	1469093