8-(4-azanyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-cyclopropyl-7-fluoranyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 8-(4-azanyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-cyclopropyl-7-fluoranyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 8-(4-amino-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid CAS Name: 8-(4-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 8-(4-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid Traditional Name: 8-(4-amino-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-cyclopropyl-7-fluoro-4-keto-9-methyl-quinolizine-3-carboxylic acid Formula: C22H21FN2O3S MolecularWeight: 412.477143

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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)CCCC5N

Isomeric SMILES

CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)C4=CC5=C(S4)CCCC5N

InChI

InChI=1S/C22H21FN2O3S/c1-10-19(18-8-13-16(24)3-2-4-17(13)29-18)15(23)9-25-20(10)12(11-5-6-11)7-14(21(25)26)22(27)28/h7-9,11,16H,2-6,24H2,1H3,(H,27,28)