(phenylmethyl) 4-[2-[(1-ethoxy-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]ethyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-[(1-ethoxy-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]ethyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[2-[[2-ethoxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[(1-ethoxy-3-mercapto-1-oxopropan-2-yl)amino]ethyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-[(1-ethoxy-1-oxo-3-sulfanylpropan-2-yl)amino]ethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[[2-ethoxy-2-keto-1-(mercaptomethyl)ethyl]amino]ethyl]piperidine-1-carboxylic acid benzyl ester Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NCCC1CCN(CC1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CS)NCCC1CCN(CC1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H30N2O4S/c1-2-25-19(23)18(15-27)21-11-8-16-9-12-22(13-10-16)20(24)26-14-17-6-4-3-5-7-17/h3-7,16,18,21,27H,2,8-15H2,1H3