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The molecular formula is C9H12BrNO3S.
The molecular weight is 294.17 g/mol.
The IUPAC name is ethyl (2Z)-2-[3-(2-bromoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate.
The InChI is InChI=1S/C9H12BrNO3S/c1-2-14-9(13)5-8-11(4-3-10)7(12)6-15-8/h5H,2-4,6H2,1H3/b8-5-.
The InChIKey is XTXPYSSPMHXYKG-YVMONPNESA-N.
The canonical SMILES is CCOC(=O)C=C1N(C(=O)CS1)CCBr.
The isomeric SMILES is CCOC(=O)/C=C\1/N(C(=O)CS1)CCBr.
The XLogP3-AA is 1.4.
The hydrogen bond donor count is 0.
The hydrogen bond acceptor count is 4.
92501-74-1
92501-98-9
925-03-1
92503-61-2
925-05-3
92507-34-1
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![Diethyl 2-[2-(4-pyridyl)ethyl]malonate](https://resource.alfa-chemistry.com/structure/92501-98-9.gif)
![4-Methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine](https://resource.alfa-chemistry.com/structure/92503-61-2.gif)
