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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(phenoxymethyl)benzoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 4-(phenoxymethyl)benzoate CAS Name: 4-(phenoxymethyl)benzoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 4-(phenoxymethyl)benzoate Traditional Name: 4-(phenoxymethyl)benzoic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C24H20N2O4S MolecularWeight: 432.4916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C24H20N2O4S/c25-14-15-31-22-9-5-4-8-21(22)26-23(27)17-30-24(28)19-12-10-18(11-13-19)16-29-20-6-2-1-3-7-20/h1-13H,15-17H2,(H,26,27)