2-[[4-[2-(cyanomethylsulfanyl)ethanoylamino]phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-[2-(cyanomethylsulfanyl)ethanoylamino]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[[2-(cyanomethylsulfanyl)acetyl]amino]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[[2-(cyanomethylthio)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[[2-(cyanomethylsulfanyl)acetyl]amino]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[[2-(cyanomethylthio)acetyl]amino]benzoyl]amino]acetic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCC(=O)O)NC(=O)CSCC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCC(=O)O)NC(=O)CSCC#N

InChI

InChI=1S/C13H13N3O4S/c14-5-6-21-8-11(17)16-10-3-1-9(2-4-10)13(20)15-7-12(18)19/h1-4H,6-8H2,(H,15,20)(H,16,17)(H,18,19)