1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-(2-oxidanylidene-2-thiophen-3-yl-ethyl)piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-(2-oxidanylidene-2-thiophen-3-yl-ethyl)piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[2-oxo-2-(3-thienyl)ethyl]piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[2-oxo-2-(3-thiophenyl)ethyl]-1-piperazinyl]-1,8-naphthyridine-3-carboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(2-oxo-2-thiophen-3-ylethyl)piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[2-keto-2-(3-thienyl)ethyl]piperazino]-1,8-naphthyridine-3-carboxylic acid Formula: C21H21FN4O4S MolecularWeight: 444.479243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN4O4S/c1-2-25-10-15(21(29)30)18(28)14-9-16(22)20(23-19(14)25)26-6-4-24(5-7-26)11-17(27)13-3-8-31-12-13/h3,8-10,12H,2,4-7,11H2,1H3,(H,29,30)