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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-acetamidopropanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 3-acetamidopropanoate CAS Name: 3-acetamidopropanoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 3-acetamidopropanoate Traditional Name: 3-acetamidopropionic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4S/c1-11(19)17-8-6-15(21)22-10-14(20)18-12-4-2-3-5-13(12)23-9-7-16/h2-5H,6,8-10H2,1H3,(H,17,19)(H,18,20)