O3-tert-butyl O1-methyl 2-phenyl-3-(3-phenylsulfanylpropyl)piperidine-1,3-dicarboxylate

Systemtic Name: O3-tert-butyl O1-methyl 2-phenyl-3-(3-phenylsulfanylpropyl)piperidine-1,3-dicarboxylate Openeye Name: O3-tert-butyl O1-methyl 2-phenyl-3-(3-phenylsulfanylpropyl)piperidine-1,3-dicarboxylate CAS Name: 2-phenyl-3-[3-(phenylthio)propyl]piperidine-1,3-dicarboxylic acid O3-tert-butyl ester O1-methyl ester IUPAC Name: 3-O-tert-butyl 1-O-methyl 2-phenyl-3-(3-phenylsulfanylpropyl)piperidine-1,3-dicarboxylate Traditional Name: 2-phenyl-3-[3-(phenylthio)propyl]piperidine-1,3-dicarboxylic acid O3-tert-butyl ester O1-methyl ester Formula: C27H35NO4S MolecularWeight: 469.6361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCCN(C1C2=CC=CC=C2)C(=O)OC)CCCSC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCCN(C1C2=CC=CC=C2)C(=O)OC)CCCSC3=CC=CC=C3

InChI

InChI=1S/C27H35NO4S/c1-26(2,3)32-24(29)27(18-12-20-33-22-15-9-6-10-16-22)17-11-19-28(25(30)31-4)23(27)21-13-7-5-8-14-21/h5-10,13-16,23H,11-12,17-20H2,1-4H3