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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[3-(4-methylphenyl)sulfanylpropanoyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[3-(p-tolylsulfanyl)propanoyl]piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[3-[(4-methylphenyl)thio]-1-oxopropyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-[3-(4-methylphenyl)sulfanylpropanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[3-(p-tolylthio)propanoyl]piperazino]quinoline-3-carboxylic acid Formula: C26H28FN3O4S MolecularWeight: 497.581623

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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=C(C=C4)C)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H28FN3O4S/c1-3-28-16-20(26(33)34)25(32)19-14-21(27)23(15-22(19)28)29-9-11-30(12-10-29)24(31)8-13-35-18-6-4-17(2)5-7-18/h4-7,14-16H,3,8-13H2,1-2H3,(H,33,34)