propan-2-yl 4-[2-(cyanomethylsulfanyl)ethanoylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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