7-(2-aminophenyl)sulfanyl-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(2-aminophenyl)sulfanyl-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(2-aminophenyl)sulfanyl-1-ethyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(2-aminophenyl)thio]-1-ethyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(2-aminophenyl)sulfanyl-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(2-aminophenyl)thio]-1-ethyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C18H14F2N2O3S MolecularWeight: 376.377166

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)SC3=CC=CC=C3N)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)SC3=CC=CC=C3N)F)C(=O)O

InChI

InChI=1S/C18H14F2N2O3S/c1-2-22-8-10(18(24)25)16(23)9-7-11(19)17(14(20)15(9)22)26-13-6-4-3-5-12(13)21/h3-8H,2,21H2,1H3,(H,24,25)