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

Systemtic Name: ethyl 4-[2-(cyanomethylsulfanyl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(cyanomethylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[2-(cyanomethylthio)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(cyanomethylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(cyanomethylthio)acetyl]amino]benzoic acid ethyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3S/c1-2-18-13(17)10-3-5-11(6-4-10)15-12(16)9-19-8-7-14/h3-6H,2,8-9H2,1H3,(H,15,16)