tert-butyl 4-(3-pyridin-4-ylpropanoylsulfanyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-pyridin-4-ylpropanoylsulfanyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-(4-pyridyl)propanoylsulfanyl]piperidine-1-carboxylate CAS Name: 4-[(1-oxo-3-pyridin-4-ylpropyl)thio]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-pyridin-4-ylpropanoylsulfanyl)piperidine-1-carboxylate Traditional Name: 4-[3-(4-pyridyl)propanoylthio]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)SC(=O)CCC2=CC=NC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)SC(=O)CCC2=CC=NC=C2

InChI

InChI=1S/C18H26N2O3S/c1-18(2,3)23-17(22)20-12-8-15(9-13-20)24-16(21)5-4-14-6-10-19-11-7-14/h6-7,10-11,15H,4-5,8-9,12-13H2,1-3H3