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

Systemtic Name: O1-tert-butyl O4-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-[2-(2-methylsulfanylanilino)-2-oxo-ethyl] piperidine-1,4-dicarboxylate CAS Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: 1-O-tert-butyl 4-O-[2-(2-methylsulfanylanilino)-2-oxoethyl] piperidine-1,4-dicarboxylate Traditional Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C20H28N2O5S/c1-20(2,3)27-19(25)22-11-9-14(10-12-22)18(24)26-13-17(23)21-15-7-5-6-8-16(15)28-4/h5-8,14H,9-13H2,1-4H3,(H,21,23)