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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-methyl-3-(3-methyl-1-benzothiophen-2-yl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-methyl-3-(3-methylbenzothiophen-2-yl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-methyl-3-(3-methyl-1-benzothiophen-2-yl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-methyl-3-(3-methyl-1-benzothiophen-2-yl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-methyl-3-(3-methylbenzothiophen-2-yl)piperazino]quinoline-3-carboxylic acid Formula: C26H26FN3O3S MolecularWeight: 479.566343

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(C(C3)C4=C(C5=CC=CC=C5S4)C)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(C(C3)C4=C(C5=CC=CC=C5S4)C)C)F)C(=O)O

InChI

InChI=1S/C26H26FN3O3S/c1-4-29-13-18(26(32)33)24(31)17-11-19(27)21(12-20(17)29)30-10-9-28(3)22(14-30)25-15(2)16-7-5-6-8-23(16)34-25/h5-8,11-13,22H,4,9-10,14H2,1-3H3,(H,32,33)