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

Systemtic Name: O1-tert-butyl O4-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] piperidine-1,4-dicarboxylate CAS Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: 1-O-tert-butyl 4-O-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] piperidine-1,4-dicarboxylate Traditional Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C21H27N3O5S/c1-21(2,3)29-20(27)24-11-8-15(9-12-24)19(26)28-14-18(25)23-16-6-4-5-7-17(16)30-13-10-22/h4-7,15H,8-9,11-14H2,1-3H3,(H,23,25)