[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 4-cyanobenzoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 4-cyanobenzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C22H16N2O3S MolecularWeight: 388.43904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H16N2O3S/c23-14-16-10-12-17(13-11-16)22(26)27-15-21(25)24-19-8-4-5-9-20(19)28-18-6-2-1-3-7-18/h1-13H,15H2,(H,24,25)