7-[4-[(8-chloranyl-5-oxidanylidene-3,4-dihydro-2H-1-benzothiepin-4-yl)methyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[(8-chloranyl-5-oxidanylidene-3,4-dihydro-2H-1-benzothiepin-4-yl)methyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[(8-chloro-5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)methyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[(8-chloro-5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)methyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[(8-chloro-5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)methyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[(8-chloro-5-keto-3,4-dihydro-2H-1-benzothiepin-4-yl)methyl]piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C27H27ClFN3O4S MolecularWeight: 544.037383

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4CCSC5=C(C4=O)C=CC(=C5)Cl)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4CCSC5=C(C4=O)C=CC(=C5)Cl)F)C(=O)O

InChI

InChI=1S/C27H27ClFN3O4S/c1-2-31-15-20(27(35)36)26(34)19-12-21(29)23(13-22(19)31)32-8-6-30(7-9-32)14-16-5-10-37-24-11-17(28)3-4-18(24)25(16)33/h3-4,11-13,15-16H,2,5-10,14H2,1H3,(H,35,36)