tert-butyl 4-[2-(5-bromanyl-2-fluoranyl-phenyl)-1,3-dithian-2-yl]-4-oxidanyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(5-bromanyl-2-fluoranyl-phenyl)-1,3-dithian-2-yl]-4-oxidanyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(5-bromo-2-fluoro-phenyl)-1,3-dithian-2-yl]-4-hydroxy-piperidine-1-carboxylate CAS Name: 4-[2-(5-bromo-2-fluorophenyl)-1,3-dithian-2-yl]-4-hydroxy-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(5-bromo-2-fluorophenyl)-1,3-dithian-2-yl]-4-hydroxypiperidine-1-carboxylate Traditional Name: 4-[2-(5-bromo-2-fluoro-phenyl)-1,3-dithian-2-yl]-4-hydroxy-piperidine-1-carboxylic acid tert-butyl ester Formula: C20H27BrFNO3S2 MolecularWeight: 492.465683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(C2(SCCCS2)C3=C(C=CC(=C3)Br)F)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C2(SCCCS2)C3=C(C=CC(=C3)Br)F)O

InChI

InChI=1S/C20H27BrFNO3S2/c1-18(2,3)26-17(24)23-9-7-19(25,8-10-23)20(27-11-4-12-28-20)15-13-14(21)5-6-16(15)22/h5-6,13,25H,4,7-12H2,1-3H3