ethyl 1-cyclopropyl-7-ethanoyl-6,8-bis(fluoranyl)-4-oxidanylidene-2-phenylsulfanyl-quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-7-ethanoyl-6,8-bis(fluoranyl)-4-oxidanylidene-2-phenylsulfanyl-quinoline-3-carboxylate Openeye Name: ethyl 7-acetyl-1-cyclopropyl-6,8-difluoro-4-oxo-2-phenylsulfanyl-quinoline-3-carboxylate CAS Name: 7-acetyl-1-cyclopropyl-6,8-difluoro-4-oxo-2-(phenylthio)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-acetyl-1-cyclopropyl-6,8-difluoro-4-oxo-2-phenylsulfanylquinoline-3-carboxylate Traditional Name: 7-acetyl-1-cyclopropyl-6,8-difluoro-4-keto-2-(phenylthio)quinoline-3-carboxylic acid ethyl ester Formula: C23H19F2NO4S MolecularWeight: 443.463066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C(C(=C(C=C2C1=O)F)C(=O)C)F)C3CC3)SC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C(C(=C(C=C2C1=O)F)C(=O)C)F)C3CC3)SC4=CC=CC=C4

InChI

InChI=1S/C23H19F2NO4S/c1-3-30-23(29)18-21(28)15-11-16(24)17(12(2)27)19(25)20(15)26(13-9-10-13)22(18)31-14-7-5-4-6-8-14/h4-8,11,13H,3,9-10H2,1-2H3