6,8-bis(fluoranyl)-1-(4-fluorophenyl)-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylic acid

Systemtic Name: 6,8-bis(fluoranyl)-1-(4-fluorophenyl)-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylic acid Openeye Name: 6,8-difluoro-1-(4-fluorophenyl)-4-oxo-7-thiomorpholino-quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-1-(4-fluorophenyl)-4-oxo-7-thiomorpholin-4-yl-3-quinolinecarboxylic acid IUPAC Name: 6,8-difluoro-1-(4-fluorophenyl)-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-1-(4-fluorophenyl)-4-keto-7-thiomorpholino-quinoline-3-carboxylic acid Formula: C20H15F3N2O3S MolecularWeight: 420.40491

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F

Isomeric SMILES

C1CSCCN1C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F

InChI

InChI=1S/C20H15F3N2O3S/c21-11-1-3-12(4-2-11)25-10-14(20(27)28)19(26)13-9-15(22)18(16(23)17(13)25)24-5-7-29-8-6-24/h1-4,9-10H,5-8H2,(H,27,28)