2-[2-(cyanomethylsulfanyl)ethanoylamino]-4-fluoranyl-benzoic acid

Systemtic Name: 2-[2-(cyanomethylsulfanyl)ethanoylamino]-4-fluoranyl-benzoic acid Openeye Name: 2-[[2-(cyanomethylsulfanyl)acetyl]amino]-4-fluoro-benzoic acid CAS Name: 2-[[2-(cyanomethylthio)-1-oxoethyl]amino]-4-fluorobenzoic acid IUPAC Name: 2-[[2-(cyanomethylsulfanyl)acetyl]amino]-4-fluorobenzoic acid Traditional Name: 2-[[2-(cyanomethylthio)acetyl]amino]-4-fluoro-benzoic acid Formula: C11H9FN2O3S MolecularWeight: 268.264163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)NC(=O)CSCC#N)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1F)NC(=O)CSCC#N)C(=O)O

InChI

InChI=1S/C11H9FN2O3S/c12-7-1-2-8(11(16)17)9(5-7)14-10(15)6-18-4-3-13/h1-2,5H,4,6H2,(H,14,15)(H,16,17)