(3-chloranyl-2-oxidanylidene-propyl)sulfanyl 6,7,8-tris(fluoranyl)-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: (3-chloranyl-2-oxidanylidene-propyl)sulfanyl 6,7,8-tris(fluoranyl)-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: (3-chloro-2-oxo-propyl)sulfanyl 6,7,8-trifluoro-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6,7,8-trifluoro-4-oxo-1H-quinoline-3-carboxylic acid [(3-chloro-2-oxopropyl)thio] ester IUPAC Name: (3-chloro-2-oxopropyl)sulfanyl 6,7,8-trifluoro-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 6,7,8-trifluoro-4-keto-1H-quinoline-3-carboxylic acid [(3-chloro-2-keto-propyl)thio] ester Formula: C13H7ClF3NO4S MolecularWeight: 365.71219

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=C(C(=C1F)F)F)NC=C(C2=O)C(=O)OSCC(=O)CCl

Isomeric SMILES

C1=C2C(=C(C(=C1F)F)F)NC=C(C2=O)C(=O)OSCC(=O)CCl

InChI

InChI=1S/C13H7ClF3NO4S/c14-2-5(19)4-23-22-13(21)7-3-18-11-6(12(7)20)1-8(15)9(16)10(11)17/h1,3H,2,4H2,(H,18,20)