tert-butyl (9S)-9-(3-bromanyl-4-fluoranyl-phenyl)-1,1,8-tris(oxidanylidene)-2,3,5,6,7,9-hexahydrothieno[3,2-b]quinoline-4-carboxylate

Systemtic Name: tert-butyl (9S)-9-(3-bromanyl-4-fluoranyl-phenyl)-1,1,8-tris(oxidanylidene)-2,3,5,6,7,9-hexahydrothieno[3,2-b]quinoline-4-carboxylate Openeye Name: tert-butyl (9S)-9-(3-bromo-4-fluoro-phenyl)-1,1,8-trioxo-2,3,5,6,7,9-hexahydrothieno[3,2-b]quinoline-4-carboxylate CAS Name: (9S)-9-(3-bromo-4-fluorophenyl)-1,1,8-trioxo-2,3,5,6,7,9-hexahydrothieno[3,2-b]quinoline-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (9S)-9-(3-bromo-4-fluorophenyl)-1,1,8-trioxo-2,3,5,6,7,9-hexahydrothieno[3,2-b]quinoline-4-carboxylate Traditional Name: (9S)-9-(3-bromo-4-fluoro-phenyl)-1,1,8-triketo-2,3,5,6,7,9-hexahydrothieno[3,2-b]quinoline-4-carboxylic acid tert-butyl ester Formula: C22H23BrFNO5S MolecularWeight: 512.389123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C(C3=C1CCS3(=O)=O)C4=CC(=C(C=C4)F)Br)C(=O)CCC2

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C([C@@H](C3=C1CCS3(=O)=O)C4=CC(=C(C=C4)F)Br)C(=O)CCC2

InChI

InChI=1S/C22H23BrFNO5S/c1-22(2,3)30-21(27)25-15-5-4-6-17(26)19(15)18(12-7-8-14(24)13(23)11-12)20-16(25)9-10-31(20,28)29/h7-8,11,18H,4-6,9-10H2,1-3H3/t18-/m0/s1