diethyl 2-[(4-tert-butylphenyl)methylsulfanyl-[(2-fluorophenyl)amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[(4-tert-butylphenyl)methylsulfanyl-[(2-fluorophenyl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[(4-tert-butylphenyl)methylsulfanyl-(2-fluoroanilino)methylene]propanedioate CAS Name: 2-[[(4-tert-butylphenyl)methylthio]-(2-fluoroanilino)methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-tert-butylphenyl)methylsulfanyl-(2-fluoroanilino)methylidene]propanedioate Traditional Name: 2-[[(4-tert-butylbenzyl)thio]-(2-fluoroanilino)methylene]malonic acid diethyl ester Formula: C25H30FNO4S MolecularWeight: 459.573403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC1=CC=CC=C1F)SCC2=CC=C(C=C2)C(C)(C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=C(NC1=CC=CC=C1F)SCC2=CC=C(C=C2)C(C)(C)C)C(=O)OCC

InChI

InChI=1S/C25H30FNO4S/c1-6-30-23(28)21(24(29)31-7-2)22(27-20-11-9-8-10-19(20)26)32-16-17-12-14-18(15-13-17)25(3,4)5/h8-15,27H,6-7,16H2,1-5H3