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

Systemtic Name: propyl 4-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]benzoate Openeye Name: propyl 4-[[2-(cyanomethylsulfanyl)benzoyl]amino]benzoate CAS Name: 4-[[[2-(cyanomethylthio)phenyl]-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(cyanomethylsulfanyl)benzoyl]amino]benzoate Traditional Name: 4-[[2-(cyanomethylthio)benzoyl]amino]benzoic acid propyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O3S/c1-2-12-24-19(23)14-7-9-15(10-8-14)21-18(22)16-5-3-4-6-17(16)25-13-11-20/h3-10H,2,12-13H2,1H3,(H,21,22)