7-(2-bromanyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(2-bromanyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H16BrFN2O3S MolecularWeight: 463.320043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC5=C(C4)C=C(S5)Br)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC5=C(C4)C=C(S5)Br)F)C(=O)O

InChI

InChI=1S/C20H16BrFN2O3S/c21-18-5-10-8-23(4-3-17(10)28-18)16-7-15-12(6-14(16)22)19(25)13(20(26)27)9-24(15)11-1-2-11/h5-7,9,11H,1-4,8H2,(H,26,27)