5-chloranyl-2-[2-(cyanomethylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 5-chloranyl-2-[2-(cyanomethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 5-chloro-2-[[2-(cyanomethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 5-chloro-2-[[2-(cyanomethylthio)-1-oxoethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[[2-(cyanomethylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 5-chloro-2-[[2-(cyanomethylthio)acetyl]amino]benzoic acid Formula: C11H9ClN2O3S MolecularWeight: 284.71876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)C(=O)O)NC(=O)CSCC#N

Isomeric SMILES

C1=CC(=C(C=C1Cl)C(=O)O)NC(=O)CSCC#N

InChI

InChI=1S/C11H9ClN2O3S/c12-7-1-2-9(8(5-7)11(16)17)14-10(15)6-18-4-3-13/h1-2,5H,4,6H2,(H,14,15)(H,16,17)