ethyl 7-(1,3-benzothiazol-2-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 7-(1,3-benzothiazol-2-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-(1,3-benzothiazol-2-yl)-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 7-(1,3-benzothiazol-2-yl)-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(1,3-benzothiazol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 7-(1,3-benzothiazol-2-yl)-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C21H17FN2O3S MolecularWeight: 396.434683

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=NC4=CC=CC=C4S3)F)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=NC4=CC=CC=C4S3)F)C(=O)OCC

InChI

InChI=1S/C21H17FN2O3S/c1-3-24-11-14(21(26)27-4-2)19(25)13-9-15(22)12(10-17(13)24)20-23-16-7-5-6-8-18(16)28-20/h5-11H,3-4H2,1-2H3