ethyl 3-phenyl-2-thiocyanato-propanoate

Systemtic Name: ethyl 3-phenyl-2-thiocyanato-propanoate Openeye Name: ethyl 3-phenyl-2-thiocyanato-propanoate CAS Name: 3-phenyl-2-thiocyanatopropanoic acid ethyl ester IUPAC Name: ethyl 3-phenyl-2-thiocyanatopropanoate Traditional Name: 3-phenyl-2-thiocyanato-propionic acid ethyl ester Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)SC#N

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)SC#N

InChI

InChI=1S/C12H13NO2S/c1-2-15-12(14)11(16-9-13)8-10-6-4-3-5-7-10/h3-7,11H,2,8H2,1H3