ethyl 2-isothiocyanato-2-phenyl-propanoate

Systemtic Name: ethyl 2-isothiocyanato-2-phenyl-propanoate Openeye Name: ethyl 2-isothiocyanato-2-phenyl-propanoate CAS Name: 2-isothiocyanato-2-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-isothiocyanato-2-phenylpropanoate Traditional Name: 2-isothiocyanato-2-phenyl-propionic acid ethyl ester Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO2S/c1-3-15-11(14)12(2,13-9-16)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3