propyl 4-[2-(cyanomethylsulfanyl)ethanoylamino]benzoate

Systemtic Name: propyl 4-[2-(cyanomethylsulfanyl)ethanoylamino]benzoate Openeye Name: propyl 4-[[2-(cyanomethylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[2-(cyanomethylthio)-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(cyanomethylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(cyanomethylthio)acetyl]amino]benzoic acid propyl ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC#N

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC#N

InChI

InChI=1S/C14H16N2O3S/c1-2-8-19-14(18)11-3-5-12(6-4-11)16-13(17)10-20-9-7-15/h3-6H,2,8-10H2,1H3,(H,16,17)