7-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(2-amino-2-oxo-ethyl)sulfanyl-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(2-amino-2-oxoethyl)thio]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(2-amino-2-oxoethyl)sulfanyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(2-amino-2-keto-ethyl)thio]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C14H13FN2O4S MolecularWeight: 324.327423

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)SCC(=O)N)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)SCC(=O)N)F)C(=O)O

InChI

InChI=1S/C14H13FN2O4S/c1-2-17-5-8(14(20)21)13(19)7-3-9(15)11(4-10(7)17)22-6-12(16)18/h3-5H,2,6H2,1H3,(H2,16,18)(H,20,21)