[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(4-acetyloxyphenyl)benzoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(4-acetyloxyphenyl)benzoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 4-(4-acetoxyphenyl)benzoate CAS Name: 4-(4-acetyloxyphenyl)benzoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 4-(4-acetyloxyphenyl)benzoate Traditional Name: 4-(4-acetoxyphenyl)benzoic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C25H20N2O5S MolecularWeight: 460.5017

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C25H20N2O5S/c1-17(28)32-21-12-10-19(11-13-21)18-6-8-20(9-7-18)25(30)31-16-24(29)27-22-4-2-3-5-23(22)33-15-14-26/h2-13H,15-16H2,1H3,(H,27,29)