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

Systemtic Name: 1-ethyl-7-[2-(ethylaminomethyl)-1,3-thiazol-4-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-7-[2-(ethylaminomethyl)thiazol-4-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-7-[2-(ethylaminomethyl)-4-thiazolyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-7-[2-(ethylaminomethyl)-1,3-thiazol-4-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-7-[2-(ethylaminomethyl)thiazol-4-yl]-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C18H18FN3O3S MolecularWeight: 375.417223

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=NC(=CS1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC)F

Isomeric SMILES

CCNCC1=NC(=CS1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC)F

InChI

InChI=1S/C18H18FN3O3S/c1-3-20-7-16-21-14(9-26-16)10-6-15-11(5-13(10)19)17(23)12(18(24)25)8-22(15)4-2/h5-6,8-9,20H,3-4,7H2,1-2H3,(H,24,25)