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

Systemtic Name: O1-tert-butyl O4-[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-[2-(4-methylsulfanylphenyl)-2-oxo-ethyl] piperidine-1,4-dicarboxylate CAS Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: 1-O-tert-butyl 4-O-[2-(4-methylsulfanylphenyl)-2-oxoethyl] piperidine-1,4-dicarboxylate Traditional Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C20H27NO5S MolecularWeight: 393.49708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO5S/c1-20(2,3)26-19(24)21-11-9-15(10-12-21)18(23)25-13-17(22)14-5-7-16(27-4)8-6-14/h5-8,15H,9-13H2,1-4H3