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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(2-oxidanylidene-2-phenyl-ethanoyl)benzoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 4-(2-oxo-2-phenyl-acetyl)benzoate CAS Name: 4-(1,2-dioxo-2-phenylethyl)benzoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 4-(2-oxo-2-phenylacetyl)benzoate Traditional Name: 4-(2-keto-2-phenyl-acetyl)benzoic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C25H18N2O5S MolecularWeight: 458.48582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18N2O5S/c26-14-15-33-21-9-5-4-8-20(21)27-22(28)16-32-25(31)19-12-10-18(11-13-19)24(30)23(29)17-6-2-1-3-7-17/h1-13H,15-16H2,(H,27,28)