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

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-(3-phenylsulfanylpropanoyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(3-phenylsulfanylpropanoyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[1-oxo-3-(phenylthio)propyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(3-phenylsulfanylpropanoyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[3-(phenylthio)propanoyl]piperazino]quinoline-3-carboxylic acid Formula: C25H26FN3O4S MolecularWeight: 483.555043

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)CCSC4=CC=CC=C4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)CCSC4=CC=CC=C4)F)C(=O)O

InChI

InChI=1S/C25H26FN3O4S/c1-2-27-16-19(25(32)33)24(31)18-14-20(26)22(15-21(18)27)28-9-11-29(12-10-28)23(30)8-13-34-17-6-4-3-5-7-17/h3-7,14-16H,2,8-13H2,1H3,(H,32,33)