[1-cyclopropyl-5,6,8-tris(fluoranyl)-4-oxidanylidene-7-thiomorpholin-4-yl-quinolin-3-yl] hydrogen carbonate

Systemtic Name: [1-cyclopropyl-5,6,8-tris(fluoranyl)-4-oxidanylidene-7-thiomorpholin-4-yl-quinolin-3-yl] hydrogen carbonate Openeye Name: (1-cyclopropyl-5,6,8-trifluoro-4-oxo-7-thiomorpholino-3-quinolyl) hydrogen carbonate CAS Name: carbonic acid (1-cyclopropyl-5,6,8-trifluoro-4-oxo-7-thiomorpholin-4-yl-3-quinolinyl) ester IUPAC Name: (1-cyclopropyl-5,6,8-trifluoro-4-oxo-7-thiomorpholin-4-ylquinolin-3-yl) hydrogen carbonate Traditional Name: carbonic acid (1-cyclopropyl-5,6,8-trifluoro-4-keto-7-thiomorpholino-3-quinolyl) ester Formula: C17H15F3N2O4S MolecularWeight: 400.37221

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3F)F)N4CCSCC4)F)OC(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3F)F)N4CCSCC4)F)OC(=O)O

InChI

InChI=1S/C17H15F3N2O4S/c18-11-10-14(13(20)15(12(11)19)21-3-5-27-6-4-21)22(8-1-2-8)7-9(16(10)23)26-17(24)25/h7-8H,1-6H2,(H,24,25)