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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-phenyl-butanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 4-oxo-4-phenyl-butanoate CAS Name: 4-oxo-4-phenylbutanoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 4-oxo-4-phenylbutanoate Traditional Name: 4-keto-4-phenyl-butyric acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C20H18N2O4S/c21-12-13-27-18-9-5-4-8-16(18)22-19(24)14-26-20(25)11-10-17(23)15-6-2-1-3-7-15/h1-9H,10-11,13-14H2,(H,22,24)