(phenylmethyl) (2S)-2-(isothiocyanatomethyl)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-(isothiocyanatomethyl)pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-(isothiocyanatomethyl)pyrrolidine-1-carboxylate CAS Name: (2S)-2-(isothiocyanatomethyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(isothiocyanatomethyl)pyrrolidine-1-carboxylate Traditional Name: (2S)-2-(isothiocyanatomethyl)pyrrolidine-1-carboxylic acid benzyl ester Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)CN=C=S

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)CN=C=S

InChI

InChI=1S/C14H16N2O2S/c17-14(18-10-12-5-2-1-3-6-12)16-8-4-7-13(16)9-15-11-19/h1-3,5-6,13H,4,7-10H2/t13-/m0/s1