6-fluoranyl-1-(4-methoxyphenyl)-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(4-methoxyphenyl)-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(4-methoxyphenyl)-4-oxo-7-thiomorpholino-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(4-methoxyphenyl)-4-oxo-7-thiomorpholin-4-yl-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(4-methoxyphenyl)-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-1-(4-methoxyphenyl)-7-thiomorpholino-quinoline-3-carboxylic acid Formula: C21H19FN2O4S MolecularWeight: 414.449963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCSCC4)F)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCSCC4)F)C(=O)O

InChI

InChI=1S/C21H19FN2O4S/c1-28-14-4-2-13(3-5-14)24-12-16(21(26)27)20(25)15-10-17(22)19(11-18(15)24)23-6-8-29-9-7-23/h2-5,10-12H,6-9H2,1H3,(H,26,27)