2-[4-[2-(cyanomethylsulfanyl)ethanoyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-(cyanomethylsulfanyl)ethanoyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(cyanomethylsulfanyl)acetyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-(cyanomethylthio)-1-oxoethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-(cyanomethylsulfanyl)acetyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-(cyanomethylthio)acetyl]piperazino]acetic acid Formula: C10H15N3O3S MolecularWeight: 257.3094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)CSCC#N

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)CSCC#N

InChI

InChI=1S/C10H15N3O3S/c11-1-6-17-8-9(14)13-4-2-12(3-5-13)7-10(15)16/h2-8H2,(H,15,16)