6,8-bis(fluoranyl)-5-methyl-4-oxidanylidene-7-piperazin-1-yl-1-thiophen-2-yl-quinoline-3-carboxylic acid

Systemtic Name: 6,8-bis(fluoranyl)-5-methyl-4-oxidanylidene-7-piperazin-1-yl-1-thiophen-2-yl-quinoline-3-carboxylic acid Openeye Name: 6,8-difluoro-5-methyl-4-oxo-7-piperazin-1-yl-1-(2-thienyl)quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-5-methyl-4-oxo-7-(1-piperazinyl)-1-thiophen-2-yl-3-quinolinecarboxylic acid IUPAC Name: 6,8-difluoro-5-methyl-4-oxo-7-piperazin-1-yl-1-thiophen-2-ylquinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-4-keto-5-methyl-7-piperazino-1-(2-thienyl)quinoline-3-carboxylic acid Formula: C19H17F2N3O3S MolecularWeight: 405.418386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1F)N3CCNCC3)F)N(C=C(C2=O)C(=O)O)C4=CC=CS4

Isomeric SMILES

CC1=C2C(=C(C(=C1F)N3CCNCC3)F)N(C=C(C2=O)C(=O)O)C4=CC=CS4

InChI

InChI=1S/C19H17F2N3O3S/c1-10-13-16(15(21)17(14(10)20)23-6-4-22-5-7-23)24(12-3-2-8-28-12)9-11(18(13)25)19(26)27/h2-3,8-9,22H,4-7H2,1H3,(H,26,27)