7-(2-bromanyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-cyclopropyl-6-fluoranyl-8-methoxy-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-8-methoxy-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-8-methoxy-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-8-methoxy-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-8-methoxy-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-8-methoxy-quinoline-3-carboxylic acid Formula: C21H18BrFN2O4S MolecularWeight: 493.346023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CCC4=C(C3)C=C(S4)Br)F)C(=O)C(=CN2C5CC5)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCC4=C(C3)C=C(S4)Br)F)C(=O)C(=CN2C5CC5)C(=O)O

InChI

InChI=1S/C21H18BrFN2O4S/c1-29-20-17-12(19(26)13(21(27)28)9-25(17)11-2-3-11)7-14(23)18(20)24-5-4-15-10(8-24)6-16(22)30-15/h6-7,9,11H,2-5,8H2,1H3,(H,27,28)