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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC(=O)NC1=CC=CC=C1SCC#N)OC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C(=O)OCC(=O)NC1=CC=CC=C1SCC#N)OC2=CC=CC=C2

InChI

InChI=1S/C20H20N2O4S/c1-2-17(26-15-8-4-3-5-9-15)20(24)25-14-19(23)22-16-10-6-7-11-18(16)27-13-12-21/h3-11,17H,2,13-14H2,1H3,(H,22,23)/t17-/m1/s1