[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] (3R)-3-phenylbutanoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] (3R)-3-phenylbutanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)NC1=CC=CC=C1SCC#N)C2=CC=CC=C2

Isomeric SMILES

C[C@H](CC(=O)OCC(=O)NC1=CC=CC=C1SCC#N)C2=CC=CC=C2

InChI

InChI=1S/C20H20N2O3S/c1-15(16-7-3-2-4-8-16)13-20(24)25-14-19(23)22-17-9-5-6-10-18(17)26-12-11-21/h2-10,15H,12-14H2,1H3,(H,22,23)/t15-/m1/s1