3,5-bis(chloranyl)-2-[2-(cyanomethylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 3,5-bis(chloranyl)-2-[2-(cyanomethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 3,5-dichloro-2-[[2-(cyanomethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 3,5-dichloro-2-[[2-(cyanomethylthio)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3,5-dichloro-2-[[2-(cyanomethylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 3,5-dichloro-2-[[2-(cyanomethylthio)acetyl]amino]benzoic acid Formula: C11H8Cl2N2O3S MolecularWeight: 319.16382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8Cl2N2O3S/c12-6-3-7(11(17)18)10(8(13)4-6)15-9(16)5-19-2-1-14/h3-4H,2,5H2,(H,15,16)(H,17,18)