1-cyclopropyl-7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-fluoranyl-8-methoxy-5-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-fluoranyl-8-methoxy-5-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-fluoro-8-methoxy-5-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-fluoro-8-methoxy-5-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-fluoro-8-methoxy-5-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-fluoro-4-keto-8-methoxy-5-nitro-quinoline-3-carboxylic acid Formula: C21H18FN3O6S MolecularWeight: 459.447523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)[N+](=O)[O-])F)N4CCC5=C(C4)C=CS5

Isomeric SMILES

COC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)[N+](=O)[O-])F)N4CCC5=C(C4)C=CS5

InChI

InChI=1S/C21H18FN3O6S/c1-31-20-17-14(19(26)12(21(27)28)9-24(17)11-2-3-11)16(25(29)30)15(22)18(20)23-6-4-13-10(8-23)5-7-32-13/h5,7,9,11H,2-4,6,8H2,1H3,(H,27,28)