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Inherent Properties, Identifiers and References
ChemSpider ID: 4500916
Empirical Formula: C26H21N3O6S2
Molecular Weight: 535.5914
Nominal Mass: 535 Da
Average Mass: 535.5914 Da
Monoisotopic Mass: 535.087175 Da
Systematic Name: ethyl (2E)-7-methyl-2-{[5-(2-methyl-4-nitrophenyl)furan-2-yl]meth​ylidene}-3-oxo-5-thiophen-2-yl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a​]pyrimidine-6-carboxylate
SMILES: [O-][N+](=O)c1ccc(c(c1)C)c2oc(cc2)/C=C3/S\C4=N\C(=C(\C(=O)OCC)C(N​4C3=O)c5sccc5)C Copy
InChI: InChI=1/C26H21N3O6S2/c1-4-34-25(31)22-15(3)27-26-28(23(22)20-6-5-​11-36-20)24(30)21(37-26)13-17-8-10-19(35-17)18-9-7-16(29(32)33)12​-14(18)2/h5-13,23H,4H2,1-3H3/b21-13+ Copy
InChIKey: TYLDCTBNPHSTIL-FYJGNVAPBL
Std. InChI: InChI=1S/C26H21N3O6S2/c1-4-34-25(31)22-15(3)27-26-28(23(22)20-6-5​-11-36-20)24(30)21(37-26)13-17-8-10-19(35-17)18-9-7-16(29(32)33)1​2-14(18)2/h5-13,23H,4H2,1-3H3/b21-13+ Copy
Std. InChIKey: TYLDCTBNPHSTIL-FYJGNVAPSA-N
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