tert-butyl 4-cyano-4-phenylsulfanyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-cyano-4-phenylsulfanyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-cyano-4-phenylsulfanyl-piperidine-1-carboxylate CAS Name: 4-cyano-4-(phenylthio)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-cyano-4-phenylsulfanylpiperidine-1-carboxylate Traditional Name: 4-cyano-4-(phenylthio)piperidine-1-carboxylic acid tert-butyl ester Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(C#N)SC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C#N)SC2=CC=CC=C2

InChI

InChI=1S/C17H22N2O2S/c1-16(2,3)21-15(20)19-11-9-17(13-18,10-12-19)22-14-7-5-4-6-8-14/h4-8H,9-12H2,1-3H3