[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-benzamidopropanoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-benzamidopropanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-benzamidopropanoate CAS Name: 2-benzamidopropanoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-benzamidopropanoate Traditional Name: 2-benzamidopropionic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4S/c1-14(22-19(25)15-7-3-2-4-8-15)20(26)27-13-18(24)23-16-9-5-6-10-17(16)28-12-11-21/h2-10,14H,12-13H2,1H3,(H,22,25)(H,23,24)