8-(4-azanyl-7,7-dimethyl-5,6-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1-cyclopropyl-7-fluoranyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 8-(4-azanyl-7,7-dimethyl-5,6-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1-cyclopropyl-7-fluoranyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 8-(4-amino-7,7-dimethyl-5,6-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid CAS Name: 8-(4-amino-7,7-dimethyl-5,6-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 8-(4-amino-7,7-dimethyl-5,6-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid Traditional Name: 8-(4-amino-7,7-dimethyl-5,6-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1-cyclopropyl-7-fluoro-4-keto-9-methyl-quinolizine-3-carboxylic acid Formula: C23H24FN3O3S MolecularWeight: 441.518363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)C4=CC5=C(S4)C(NCC5N)(C)C

Isomeric SMILES

CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)C4=CC5=C(S4)C(NCC5N)(C)C

InChI

InChI=1S/C23H24FN3O3S/c1-10-18(17-7-13-16(25)8-26-23(2,3)20(13)31-17)15(24)9-27-19(10)12(11-4-5-11)6-14(21(27)28)22(29)30/h6-7,9,11,16,26H,4-5,8,25H2,1-3H3,(H,29,30)