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

Systemtic Name: 7-[3-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(5-chloro-3-methyl-benzothiophen-2-yl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(5-chloro-3-methyl-benzothiophen-2-yl)piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H23ClFN3O3S MolecularWeight: 499.984823

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C4=C(C5=C(S4)C=CC(=C5)Cl)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C4=C(C5=C(S4)C=CC(=C5)Cl)C)F)C(=O)O

InChI

InChI=1S/C25H23ClFN3O3S/c1-3-29-11-17(25(32)33)23(31)16-9-18(27)21(10-20(16)29)30-7-6-28-19(12-30)24-13(2)15-8-14(26)4-5-22(15)34-24/h4-5,8-11,19,28H,3,6-7,12H2,1-2H3,(H,32,33)