tert-butyl 4-(pyridin-4-ylcarbonylsulfanylmethyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(pyridin-4-ylcarbonylsulfanylmethyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(pyridine-4-carbonylsulfanylmethyl)piperidine-1-carboxylate CAS Name: 4-[[[oxo(pyridin-4-yl)methyl]thio]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(pyridine-4-carbonylsulfanylmethyl)piperidine-1-carboxylate Traditional Name: 4-[(isonicotinoylthio)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3S/c1-17(2,3)22-16(21)19-10-6-13(7-11-19)12-23-15(20)14-4-8-18-9-5-14/h4-5,8-9,13H,6-7,10-12H2,1-3H3