7-[2-(ethylaminomethyl)-1,3-thiazol-4-yl]-6,8-bis(fluoranyl)-1-(2-fluoranylethyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[2-(ethylaminomethyl)-1,3-thiazol-4-yl]-6,8-bis(fluoranyl)-1-(2-fluoranylethyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[2-(ethylaminomethyl)thiazol-4-yl]-6,8-difluoro-1-(2-fluoroethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[2-(ethylaminomethyl)-4-thiazolyl]-6,8-difluoro-1-(2-fluoroethyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[2-(ethylaminomethyl)-1,3-thiazol-4-yl]-6,8-difluoro-1-(2-fluoroethyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[2-(ethylaminomethyl)thiazol-4-yl]-6,8-difluoro-1-(2-fluoroethyl)-4-keto-quinoline-3-carboxylic acid Formula: C18H16F3N3O3S MolecularWeight: 411.39815

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=NC(=CS1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F

Isomeric SMILES

CCNCC1=NC(=CS1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F

InChI

InChI=1S/C18H16F3N3O3S/c1-2-22-6-13-23-12(8-28-13)14-11(20)5-9-16(15(14)21)24(4-3-19)7-10(17(9)25)18(26)27/h5,7-8,22H,2-4,6H2,1H3,(H,26,27)