[2-(isothiocyanatomethyl)-3-phenyl-propyl] 2,2-dimethylpropanoate

Systemtic Name: [2-(isothiocyanatomethyl)-3-phenyl-propyl] 2,2-dimethylpropanoate Openeye Name: (2-benzyl-3-isothiocyanato-propyl) 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-(isothiocyanatomethyl)-3-phenylpropyl] ester IUPAC Name: (2-benzyl-3-isothiocyanatopropyl) 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (2-benzyl-3-isothiocyanato-propyl) ester Formula: C16H21NO2S MolecularWeight: 291.40844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC(CC1=CC=CC=C1)CN=C=S

Isomeric SMILES

CC(C)(C)C(=O)OCC(CC1=CC=CC=C1)CN=C=S

InChI

InChI=1S/C16H21NO2S/c1-16(2,3)15(18)19-11-14(10-17-12-20)9-13-7-5-4-6-8-13/h4-8,14H,9-11H2,1-3H3