8-cyano-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-2-thiomorpholin-4-yl-quinoline-3-carboxylic acid

Systemtic Name: 8-cyano-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-2-thiomorpholin-4-yl-quinoline-3-carboxylic acid Openeye Name: 8-cyano-1-cyclopropyl-6-fluoro-4-oxo-2-thiomorpholino-quinoline-3-carboxylic acid CAS Name: 8-cyano-1-cyclopropyl-6-fluoro-4-oxo-2-thiomorpholin-4-yl-3-quinolinecarboxylic acid IUPAC Name: 8-cyano-1-cyclopropyl-6-fluoro-4-oxo-2-thiomorpholin-4-ylquinoline-3-carboxylic acid Traditional Name: 8-cyano-1-cyclopropyl-6-fluoro-4-keto-2-thiomorpholino-quinoline-3-carboxylic acid Formula: C18H16FN3O3S MolecularWeight: 373.401343

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=C(C=C(C=C3C#N)F)C(=O)C(=C2N4CCSCC4)C(=O)O

Isomeric SMILES

C1CC1N2C3=C(C=C(C=C3C#N)F)C(=O)C(=C2N4CCSCC4)C(=O)O

InChI

InChI=1S/C18H16FN3O3S/c19-11-7-10(9-20)15-13(8-11)16(23)14(18(24)25)17(22(15)12-1-2-12)21-3-5-26-6-4-21/h7-8,12H,1-6H2,(H,24,25)