benzoic acid, 4-[(5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-2-imino-4-oxothiazolidinyl]-, ethyl ester

SpectraBase Compound ID	CTnUPKpczl6
InChI	InChI=1S/C20H15BrN2O5S/c1-2-26-19(25)11-3-5-13(6-4-11)23-18(24)17(29-20(23)22)8-12-7-15-16(9-14(12)21)28-10-27-15/h3-9,22H,2,10H2,1H3/b17-8-,22-20?
InChIKey	JDHQIZULYLBAOG-SQJGXBMISA-N Google Search
Mol Weight	475.31 g/mol
Molecular Formula	C20H15BrN2O5S
Exact Mass	473.988506 g/mol

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SpectraBase Spectrum ID	BKQCYlS59YB
Name	4-[(5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-2-imino-4-keto-thiazolidin-3-yl]benzoic acid ethyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H15BrN2O5S
InChI	InChI=1S/C20H15BrN2O5S/c1-2-26-19(25)11-3-5-13(6-4-11)23-18(24)17(29-20(23)22)8-12-7-15-16(9-14(12)21)28-10-27-15/h3-9,22H,2,10H2,1H3/b17-8-,22-20?
InChIKey	JDHQIZULYLBAOG-SQJGXBMISA-N
Molecular Weight	475.313 g/mol
SMILES	N=C1N(C(\C(=C\c2c(cc3c(c2)OCO3)Br)S1)=O)c1ccc(C(=O)OCC)cc1
SPLASH	splash10-052b-3957000000-d287c7e50b8f770c2aab
Synonyms	4-[(5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-imino-4-oxo-3-thiazolidinyl]benzoic acid ethyl ester Ethyl 4-[(5Z)-2-azanylidene-5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-1,3-thiazolidin-3-yl]benzoate Ethyl 4-[(5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-2-imino-4-oxo-thiazolidin-3-yl]benzoate Ethyl 4-[(5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzoate
Wiley ID	1462729