ethyl 3-bromanyl-4-[2-(cyanomethylsulfanyl)ethanoylamino]benzoate

Systemtic Name: ethyl 3-bromanyl-4-[2-(cyanomethylsulfanyl)ethanoylamino]benzoate Openeye Name: ethyl 3-bromo-4-[[2-(cyanomethylsulfanyl)acetyl]amino]benzoate CAS Name: 3-bromo-4-[[2-(cyanomethylthio)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[[2-(cyanomethylsulfanyl)acetyl]amino]benzoate Traditional Name: 3-bromo-4-[[2-(cyanomethylthio)acetyl]amino]benzoic acid ethyl ester Formula: C13H13BrN2O3S MolecularWeight: 357.22292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN2O3S/c1-2-19-13(18)9-3-4-11(10(14)7-9)16-12(17)8-20-6-5-15/h3-4,7H,2,6,8H2,1H3,(H,16,17)