ethyl 2-isothiocyanato-2-phenyl-ethanoate

Systemtic Name: ethyl 2-isothiocyanato-2-phenyl-ethanoate Openeye Name: ethyl 2-isothiocyanato-2-phenyl-acetate CAS Name: 2-isothiocyanato-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-isothiocyanato-2-phenylacetate Traditional Name: 2-isothiocyanato-2-phenyl-acetic acid ethyl ester Formula: C11H11NO2S MolecularWeight: 221.27554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)N=C=S

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)N=C=S

InChI

InChI=1S/C11H11NO2S/c1-2-14-11(13)10(12-8-15)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3