1-ethyl-6-fluoranyl-4-oxidanylidene-7-pyrimidin-2-ylsulfanyl-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-pyrimidin-2-ylsulfanyl-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-pyrimidin-2-ylsulfanyl-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-(2-pyrimidinylthio)-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-pyrimidin-2-ylsulfanylquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(2-pyrimidylthio)quinoline-3-carboxylic acid Formula: C16H12FN3O3S MolecularWeight: 345.348183

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)SC3=NC=CC=N3)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)SC3=NC=CC=N3)F)C(=O)O

InChI

InChI=1S/C16H12FN3O3S/c1-2-20-8-10(15(22)23)14(21)9-6-11(17)13(7-12(9)20)24-16-18-4-3-5-19-16/h3-8H,2H2,1H3,(H,22,23)