7-[3-(5-bromanylthiophen-2-yl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(5-bromanylthiophen-2-yl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(5-bromo-2-thienyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(5-bromo-2-thiophenyl)-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(5-bromothiophen-2-yl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(5-bromo-2-thienyl)piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H19BrFN3O3S MolecularWeight: 480.350563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C4=CC=C(S4)Br)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C4=CC=C(S4)Br)F)C(=O)O

InChI

InChI=1S/C20H19BrFN3O3S/c1-2-24-9-12(20(27)28)19(26)11-7-13(22)16(8-15(11)24)25-6-5-23-14(10-25)17-3-4-18(21)29-17/h3-4,7-9,14,23H,2,5-6,10H2,1H3,(H,27,28)