(phenylmethyl) 2-[2,2-dicyano-1-[(4-fluorophenyl)amino]ethenyl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[2,2-dicyano-1-[(4-fluorophenyl)amino]ethenyl]sulfanylethanoate Openeye Name: benzyl 2-[2,2-dicyano-1-(4-fluoroanilino)vinyl]sulfanylacetate CAS Name: 2-[[2,2-dicyano-1-(4-fluoroanilino)ethenyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2,2-dicyano-1-(4-fluoroanilino)ethenyl]sulfanylacetate Traditional Name: 2-[[2,2-dicyano-1-(4-fluoroanilino)vinyl]thio]acetic acid benzyl ester Formula: C19H14FN3O2S MolecularWeight: 367.396763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC(=C(C#N)C#N)NC2=CC=C(C=C2)F

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC(=C(C#N)C#N)NC2=CC=C(C=C2)F

InChI

InChI=1S/C19H14FN3O2S/c20-16-6-8-17(9-7-16)23-19(15(10-21)11-22)26-13-18(24)25-12-14-4-2-1-3-5-14/h1-9,23H,12-13H2