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

Systemtic Name: ethyl 1-cyclopropyl-6,7-bis(fluoranyl)-4-oxidanylidene-2-sulfanyl-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-6,7-difluoro-4-oxo-2-sulfanyl-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6,7-difluoro-2-mercapto-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-6,7-difluoro-4-oxo-2-sulfanylquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-6,7-difluoro-4-keto-2-mercapto-quinoline-3-carboxylic acid ethyl ester Formula: C15H13F2NO3S MolecularWeight: 325.330426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C2C1=O)F)F)C3CC3)S

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C2C1=O)F)F)C3CC3)S

InChI

InChI=1S/C15H13F2NO3S/c1-2-21-15(20)12-13(19)8-5-9(16)10(17)6-11(8)18(14(12)22)7-3-4-7/h5-7,22H,2-4H2,1H3