2,5-bis(fluoranyl)-4-oxidanylidene-7-piperazin-1-yl-1-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxylic acid

Systemtic Name: 2,5-bis(fluoranyl)-4-oxidanylidene-7-piperazin-1-yl-1-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxylic acid Openeye Name: 2,5-difluoro-4-oxo-7-piperazin-1-yl-1-(thiazol-2-ylmethyl)quinoline-3-carboxylic acid CAS Name: 2,5-difluoro-4-oxo-7-(1-piperazinyl)-1-(2-thiazolylmethyl)-3-quinolinecarboxylic acid IUPAC Name: 2,5-difluoro-4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxylic acid Traditional Name: 2,5-difluoro-4-keto-7-piperazino-1-(thiazol-2-ylmethyl)quinoline-3-carboxylic acid Formula: C18H16F2N4O3S MolecularWeight: 406.406446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC(=C3C(=C2)N(C(=C(C3=O)C(=O)O)F)CC4=NC=CS4)F

Isomeric SMILES

C1CN(CCN1)C2=CC(=C3C(=C2)N(C(=C(C3=O)C(=O)O)F)CC4=NC=CS4)F

InChI

InChI=1S/C18H16F2N4O3S/c19-11-7-10(23-4-1-21-2-5-23)8-12-14(11)16(25)15(18(26)27)17(20)24(12)9-13-22-3-6-28-13/h3,6-8,21H,1-2,4-5,9H2,(H,26,27)