methyl 4-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-(cyanomethylsulfanyl)benzoyl]amino]benzoate CAS Name: 4-[[[2-(cyanomethylthio)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(cyanomethylsulfanyl)benzoyl]amino]benzoate Traditional Name: 4-[[2-(cyanomethylthio)benzoyl]amino]benzoic acid methyl ester Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC#N

InChI

InChI=1S/C17H14N2O3S/c1-22-17(21)12-6-8-13(9-7-12)19-16(20)14-4-2-3-5-15(14)23-11-10-18/h2-9H,11H2,1H3,(H,19,20)