[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-oxidanyl-2,2-diphenyl-ethanoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic 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)C(C2=CC=CC=C2)(C(=O)OCC(=O)NC3=CC=CC=C3SCC#N)O

Isomeric SMILES

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

InChI

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