ethyl 7-[2-(1-acetamidoethyl)-1,3-thiazol-4-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 7-[2-(1-acetamidoethyl)-1,3-thiazol-4-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-[2-(1-acetamidoethyl)thiazol-4-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 7-[2-(1-acetamidoethyl)-4-thiazolyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-[2-(1-acetamidoethyl)-1,3-thiazol-4-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 7-[2-(1-acetamidoethyl)thiazol-4-yl]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C21H22FN3O4S MolecularWeight: 431.480483

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=CSC(=N3)C(C)NC(=O)C)F)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=CSC(=N3)C(C)NC(=O)C)F)C(=O)OCC

InChI

InChI=1S/C21H22FN3O4S/c1-5-25-9-15(21(28)29-6-2)19(27)14-7-16(22)13(8-18(14)25)17-10-30-20(24-17)11(3)23-12(4)26/h7-11H,5-6H2,1-4H3,(H,23,26)