(5-cyano-2-fluoranyl-phenyl)methyl 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]benzoic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]benzoic acid (5-cyano-2-fluoro-benzyl) ester Formula: C24H16FN3O3S MolecularWeight: 445.465543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=C(C=CC(=C2)C#N)F)SCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=C(C=CC(=C2)C#N)F)SCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C24H16FN3O3S/c25-21-9-8-17(13-27)10-18(21)14-31-24(30)20-6-1-2-7-22(20)32-15-23(29)28-19-5-3-4-16(11-19)12-26/h1-11H,14-15H2,(H,28,29)