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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=CC=C2)N3CCNC(C3)C4=C(C5=C(S4)C=CC(=C5)Cl)C)C(=O)C(=C1F)C(=O)O

Isomeric SMILES

CCN1C2=C(C(=CC=C2)N3CCNC(C3)C4=C(C5=C(S4)C=CC(=C5)Cl)C)C(=O)C(=C1F)C(=O)O

InChI

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