7-[4-azanyl-5,5-bis(fluoranyl)-6,7-dihydro-4H-1-benzothiophen-2-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-azanyl-5,5-bis(fluoranyl)-6,7-dihydro-4H-1-benzothiophen-2-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-amino-5,5-difluoro-6,7-dihydro-4H-benzothiophen-2-yl)-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(4-amino-5,5-difluoro-6,7-dihydro-4H-1-benzothiophen-2-yl)-1-cyclopropyl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(4-amino-5,5-difluoro-6,7-dihydro-4H-1-benzothiophen-2-yl)-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-amino-5,5-difluoro-6,7-dihydro-4H-benzothiophen-2-yl)-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H20F2N2O4S MolecularWeight: 446.467006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(S4)CCC(C5N)(F)F

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(S4)CCC(C5N)(F)F

InChI

InChI=1S/C22H20F2N2O4S/c1-30-19-11(16-8-13-15(31-16)6-7-22(23,24)20(13)25)4-5-12-17(19)26(10-2-3-10)9-14(18(12)27)21(28)29/h4-5,8-10,20H,2-3,6-7,25H2,1H3,(H,28,29)