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

Systemtic Name: butyl 4-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]benzoate Openeye Name: butyl 4-[[2-(cyanomethylsulfanyl)benzoyl]amino]benzoate CAS Name: 4-[[[2-(cyanomethylthio)phenyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(cyanomethylsulfanyl)benzoyl]amino]benzoate Traditional Name: 4-[[2-(cyanomethylthio)benzoyl]amino]benzoic acid butyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c1-2-3-13-25-20(24)15-8-10-16(11-9-15)22-19(23)17-6-4-5-7-18(17)26-14-12-21/h4-11H,2-3,13-14H2,1H3,(H,22,23)