tert-butyl (2S)-2-(2-methylsulfanylethyl)-4-(phenylmethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-(2-methylsulfanylethyl)-4-(phenylmethyl)piperazine-1-carboxylate Openeye Name: tert-butyl (2S)-4-benzyl-2-(2-methylsulfanylethyl)piperazine-1-carboxylate CAS Name: (2S)-2-[2-(methylthio)ethyl]-4-(phenylmethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-benzyl-2-(2-methylsulfanylethyl)piperazine-1-carboxylate Traditional Name: (2S)-4-benzyl-2-[2-(methylthio)ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H30N2O2S MolecularWeight: 350.5187

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1CCSC)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C[C@@H]1CCSC)CC2=CC=CC=C2

InChI

InChI=1S/C19H30N2O2S/c1-19(2,3)23-18(22)21-12-11-20(15-17(21)10-13-24-4)14-16-8-6-5-7-9-16/h5-9,17H,10-15H2,1-4H3/t17-/m0/s1