tert-butyl 4-[4-[6-fluoranyl-2-(2-oxidanylideneethylsulfanyl)quinolin-3-yl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[6-fluoranyl-2-(2-oxidanylideneethylsulfanyl)quinolin-3-yl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[6-fluoro-2-(2-oxoethylsulfanyl)-3-quinolyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[6-fluoro-2-(2-oxoethylthio)-3-quinolinyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[6-fluoro-2-(2-oxoethylsulfanyl)quinolin-3-yl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[6-fluoro-2-(2-ketoethylthio)-3-quinolyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H28FN3O3S MolecularWeight: 481.582223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=C(N=C4C=CC(=CC4=C3)F)SCC=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=C(N=C4C=CC(=CC4=C3)F)SCC=O

InChI

InChI=1S/C26H28FN3O3S/c1-26(2,3)33-25(32)30-12-10-29(11-13-30)21-7-4-18(5-8-21)22-17-19-16-20(27)6-9-23(19)28-24(22)34-15-14-31/h4-9,14,16-17H,10-13,15H2,1-3H3