6-fluoranyl-4-oxidanylidene-7-[(5-undecyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1H-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-4-oxidanylidene-7-[(5-undecyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1H-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-4-oxo-7-[(5-undecyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1H-quinoline-3-carboxylic acid CAS Name: 6-fluoro-4-oxo-7-[(5-undecyl-1,3,4-thiadiazol-2-yl)thio]-1H-quinoline-3-carboxylic acid IUPAC Name: 6-fluoro-4-oxo-7-[(5-undecyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1H-quinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-7-[(5-undecyl-1,3,4-thiadiazol-2-yl)thio]-1H-quinoline-3-carboxylic acid Formula: C23H28FN3O3S2 MolecularWeight: 477.615123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NN=C(S1)SC2=C(C=C3C(=C2)NC=C(C3=O)C(=O)O)F

Isomeric SMILES

CCCCCCCCCCCC1=NN=C(S1)SC2=C(C=C3C(=C2)NC=C(C3=O)C(=O)O)F

InChI

InChI=1S/C23H28FN3O3S2/c1-2-3-4-5-6-7-8-9-10-11-20-26-27-23(32-20)31-19-13-18-15(12-17(19)24)21(28)16(14-25-18)22(29)30/h12-14H,2-11H2,1H3,(H,25,28)(H,29,30)