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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-(3-methylsulfanylpropanoyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-(3-methylsulfanylpropanoyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[3-(methylthio)-1-oxopropyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-(3-methylsulfanylpropanoyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[3-(methylthio)propanoyl]piperazino]quinoline-3-carboxylic acid Formula: C20H24FN3O4S MolecularWeight: 421.485663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN3O4S/c1-3-22-12-14(20(27)28)19(26)13-10-15(21)17(11-16(13)22)23-5-7-24(8-6-23)18(25)4-9-29-2/h10-12H,3-9H2,1-2H3,(H,27,28)