7-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-ethyl-6-fluoranyl-8-(methylamino)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-ethyl-6-fluoranyl-8-(methylamino)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[2-(aminomethyl)thiazol-4-yl]-1-ethyl-6-fluoro-8-(methylamino)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[2-(aminomethyl)-4-thiazolyl]-1-ethyl-6-fluoro-8-(methylamino)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-ethyl-6-fluoro-8-(methylamino)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[2-(aminomethyl)thiazol-4-yl]-1-ethyl-6-fluoro-4-keto-8-(methylamino)quinoline-3-carboxylic acid Formula: C17H17FN4O3S MolecularWeight: 376.405283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN4O3S/c1-3-22-6-9(17(24)25)16(23)8-4-10(18)13(14(20-2)15(8)22)11-7-26-12(5-19)21-11/h4,6-7,20H,3,5,19H2,1-2H3,(H,24,25)