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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[3-(3-methyl-1-benzothiophen-2-yl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[3-(3-methylbenzothiophen-2-yl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[3-(3-methyl-1-benzothiophen-2-yl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[3-(3-methyl-1-benzothiophen-2-yl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[3-(3-methylbenzothiophen-2-yl)piperazino]quinoline-3-carboxylic acid Formula: C25H24FN3O3S MolecularWeight: 465.539763

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C4=C(C5=CC=CC=C5S4)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C4=C(C5=CC=CC=C5S4)C)F)C(=O)O

InChI

InChI=1S/C25H24FN3O3S/c1-3-28-12-17(25(31)32)23(30)16-10-18(26)21(11-20(16)28)29-9-8-27-19(13-29)24-14(2)15-6-4-5-7-22(15)33-24/h4-7,10-12,19,27H,3,8-9,13H2,1-2H3,(H,31,32)