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

Systemtic Name: 2-[2-(cyanomethylsulfanyl)ethanoylamino]-2-phenyl-ethanoic acid Openeye Name: 2-[[2-(cyanomethylsulfanyl)acetyl]amino]-2-phenyl-acetic acid CAS Name: 2-[[2-(cyanomethylthio)-1-oxoethyl]amino]-2-phenylacetic acid IUPAC Name: 2-[[2-(cyanomethylsulfanyl)acetyl]amino]-2-phenylacetic acid Traditional Name: 2-[[2-(cyanomethylthio)acetyl]amino]-2-phenyl-acetic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O3S/c13-6-7-18-8-10(15)14-11(12(16)17)9-4-2-1-3-5-9/h1-5,11H,7-8H2,(H,14,15)(H,16,17)