(phenylmethyl) 2-(2-methylsulfanylethyl)-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(2-methylsulfanylethyl)-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: benzyl 2-(2-methylsulfanylethyl)-3-oxo-piperazine-1-carboxylate CAS Name: 2-[2-(methylthio)ethyl]-3-oxo-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-methylsulfanylethyl)-3-oxopiperazine-1-carboxylate Traditional Name: 3-keto-2-[2-(methylthio)ethyl]piperazine-1-carboxylic acid benzyl ester Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC1C(=O)NCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CSCCC1C(=O)NCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C15H20N2O3S/c1-21-10-7-13-14(18)16-8-9-17(13)15(19)20-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,16,18)