2-[[(3-chloranyl-4-fluoranyl-phenyl)amino]-(2-trimethylsilyloxyethylsulfanyl)methylidene]propanedioic acid

Systemtic Name: 2-[[(3-chloranyl-4-fluoranyl-phenyl)amino]-(2-trimethylsilyloxyethylsulfanyl)methylidene]propanedioic acid Openeye Name: 2-[(3-chloro-4-fluoro-anilino)-(2-trimethylsilyloxyethylsulfanyl)methylene]propanedioic acid CAS Name: 2-[(3-chloro-4-fluoroanilino)-(2-trimethylsilyloxyethylthio)methylidene]propanedioic acid IUPAC Name: 2-[(3-chloro-4-fluoroanilino)-(2-trimethylsilyloxyethylsulfanyl)methylidene]propanedioic acid Traditional Name: 2-[(3-chloro-4-fluoro-anilino)-(2-trimethylsilyloxyethylthio)methylene]malonic acid Formula: C15H19ClFNO5SSi MolecularWeight: 407.916963

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Descriptors Computed from Structure

Canonical SMILES:

C[Si](C)(C)OCCSC(=C(C(=O)O)C(=O)O)NC1=CC(=C(C=C1)F)Cl

Isomeric SMILES

C[Si](C)(C)OCCSC(=C(C(=O)O)C(=O)O)NC1=CC(=C(C=C1)F)Cl

InChI

InChI=1S/C15H19ClFNO5SSi/c1-25(2,3)23-6-7-24-13(12(14(19)20)15(21)22)18-9-4-5-11(17)10(16)8-9/h4-5,8,18H,6-7H2,1-3H3,(H,19,20)(H,21,22)