ethyl 6,8-bis(fluoranyl)-4-oxidanylidene-7-phenyl-2-sulfanyl-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 6,8-bis(fluoranyl)-4-oxidanylidene-7-phenyl-2-sulfanyl-1H-quinoline-3-carboxylate Openeye Name: ethyl 6,8-difluoro-4-oxo-7-phenyl-2-sulfanyl-1H-quinoline-3-carboxylate CAS Name: 6,8-difluoro-2-mercapto-4-oxo-7-phenyl-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6,8-difluoro-4-oxo-7-phenyl-2-sulfanyl-1H-quinoline-3-carboxylate Traditional Name: 6,8-difluoro-4-keto-2-mercapto-7-phenyl-1H-quinoline-3-carboxylic acid ethyl ester Formula: C18H13F2NO3S MolecularWeight: 361.362526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C(=C(C=C2C1=O)F)C3=CC=CC=C3)F)S

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C(=C(C=C2C1=O)F)C3=CC=CC=C3)F)S

InChI

InChI=1S/C18H13F2NO3S/c1-2-24-18(23)13-16(22)10-8-11(19)12(9-6-4-3-5-7-9)14(20)15(10)21-17(13)25/h3-8H,2H2,1H3,(H2,21,22,25)