1-[2-(ethylamino)cyclopropyl]-6,8-bis(fluoranyl)-7-methylsulfanyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[2-(ethylamino)cyclopropyl]-6,8-bis(fluoranyl)-7-methylsulfanyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-[2-(ethylamino)cyclopropyl]-6,8-difluoro-7-methylsulfanyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-[2-(ethylamino)cyclopropyl]-6,8-difluoro-7-(methylthio)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-[2-(ethylamino)cyclopropyl]-6,8-difluoro-7-methylsulfanyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-[2-(ethylamino)cyclopropyl]-6,8-difluoro-4-keto-7-(methylthio)quinoline-3-carboxylic acid Formula: C16H16F2N2O3S MolecularWeight: 354.371646

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)SC)F)C(=O)O

Isomeric SMILES

CCNC1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)SC)F)C(=O)O

InChI

InChI=1S/C16H16F2N2O3S/c1-3-19-10-5-11(10)20-6-8(16(22)23)14(21)7-4-9(17)15(24-2)12(18)13(7)20/h4,6,10-11,19H,3,5H2,1-2H3,(H,22,23)