tert-butyl 4-pyridin-4-ylcarbonylsulfanylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-pyridin-4-ylcarbonylsulfanylpiperidine-1-carboxylate Openeye Name: tert-butyl 4-(pyridine-4-carbonylsulfanyl)piperidine-1-carboxylate CAS Name: 4-[[oxo(pyridin-4-yl)methyl]thio]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(pyridine-4-carbonylsulfanyl)piperidine-1-carboxylate Traditional Name: 4-(isonicotinoylthio)piperidine-1-carboxylic acid tert-butyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3S/c1-16(2,3)21-15(20)18-10-6-13(7-11-18)22-14(19)12-4-8-17-9-5-12/h4-5,8-9,13H,6-7,10-11H2,1-3H3