ethyl (2S)-2-isothiocyanato-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-isothiocyanato-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-isothiocyanato-3-phenyl-propanoate CAS Name: (2S)-2-isothiocyanato-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-isothiocyanato-3-phenylpropanoate Traditional Name: (2S)-2-isothiocyanato-3-phenyl-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)N=C=S

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)N=C=S

InChI

InChI=1S/C12H13NO2S/c1-2-15-12(14)11(13-9-16)8-10-6-4-3-5-7-10/h3-7,11H,2,8H2,1H3/t11-/m0/s1