methyl 2-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[2-(cyanomethylsulfanyl)benzoyl]amino]acetate CAS Name: 2-[[[2-(cyanomethylthio)phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(cyanomethylsulfanyl)benzoyl]amino]acetate Traditional Name: 2-[[2-(cyanomethylthio)benzoyl]amino]acetic acid methyl ester Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1=CC=CC=C1SCC#N

Isomeric SMILES

COC(=O)CNC(=O)C1=CC=CC=C1SCC#N

InChI

InChI=1S/C12H12N2O3S/c1-17-11(15)8-14-12(16)9-4-2-3-5-10(9)18-7-6-13/h2-5H,7-8H2,1H3,(H,14,16)