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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)CSCC#N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)CSCC#N)C(=O)O

InChI

InChI=1S/C13H14N2O3S/c14-6-8-19-9-12(16)15-7-5-10-1-3-11(4-2-10)13(17)18/h1-4H,5,7-9H2,(H,15,16)(H,17,18)