O1-tert-butyl O4-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] piperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] piperidine-1,4-dicarboxylate CAS Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: 1-O-tert-butyl 4-O-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] piperidine-1,4-dicarboxylate Traditional Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OCC(=O)NCCSC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OCC(=O)NCCSC2=CC=CC=C2

InChI

InChI=1S/C21H30N2O5S/c1-21(2,3)28-20(26)23-12-9-16(10-13-23)19(25)27-15-18(24)22-11-14-29-17-7-5-4-6-8-17/h4-8,16H,9-15H2,1-3H3,(H,22,24)