2-(cyanomethylsulfanyl)-2-phenyl-ethanoic acid

Systemtic Name: 2-(cyanomethylsulfanyl)-2-phenyl-ethanoic acid Openeye Name: 2-(cyanomethylsulfanyl)-2-phenyl-acetic acid CAS Name: 2-(cyanomethylthio)-2-phenylacetic acid IUPAC Name: 2-(cyanomethylsulfanyl)-2-phenylacetic acid Traditional Name: 2-(cyanomethylthio)-2-phenyl-acetic acid Formula: C10H9NO2S MolecularWeight: 207.24896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)SCC#N

InChI

InChI=1S/C10H9NO2S/c11-6-7-14-9(10(12)13)8-4-2-1-3-5-8/h1-5,9H,7H2,(H,12,13)