Z89

(2R)-2-[(5Z)-5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid


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Chemical Component Summary

Name(2R)-2-[(5Z)-5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid
SynonymsN-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE
Identifiers(2R)-2-[(5Z)-5-(5-bromo-2-oxo-1H-indol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid
FormulaC15 H9 Br N2 O6 S2
Molecular Weight457.276
TypeNON-POLYMER
Isomeric SMILESc1cc2c(cc1Br)/C(=C/3\C(=O)N(C(=S)S3)[C@H](CC(=O)O)C(=O)O)/C(=O)N2
InChIInChI=1S/C15H9BrN2O6S2/c16-5-1-2-7-6(3-5)10(12(21)17-7)11-13(22)18(15(25)26-11)8(14(23)24)4-9(19)20/h1-3,8H,4H2,(H,17,21)(H,19,20)(H,23,24)/b11-10-/t8-/m1/s1
InChIKeyQGNRETMYLHRUBB-OZEWEUHLSA-N

Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count1
Bond Count37
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 40452958