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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-phenoxyethoxy)benzoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-(2-phenoxyethoxy)benzoate CAS Name: 2-(2-phenoxyethoxy)benzoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate Traditional Name: 2-(2-phenoxyethoxy)benzoic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCOC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

C1=CC=C(C=C1)OCCOC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C25H22N2O5S/c26-14-17-33-23-13-7-5-11-21(23)27-24(28)18-32-25(29)20-10-4-6-12-22(20)31-16-15-30-19-8-2-1-3-9-19/h1-13H,15-18H2,(H,27,28)