ethyl 4-[2-(phenylmethylsulfanyl)ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(phenylmethylsulfanyl)ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(2-benzylsulfanylacetyl)piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-(phenylmethylthio)ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-benzylsulfanylacetyl)piperazine-1-carboxylate Traditional Name: 4-[2-(benzylthio)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C16H22N2O3S/c1-2-21-16(20)18-10-8-17(9-11-18)15(19)13-22-12-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3