7-[4-[(8-chloranyl-5-oxidanylidene-3,4-dihydro-2H-1-benzothiepin-4-yl)methyl]piperazin-1-yl]-1-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C28H27ClFN3O4S MolecularWeight: 556.048083

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC5CCSC6=C(C5=O)C=CC(=C6)Cl)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC5CCSC6=C(C5=O)C=CC(=C6)Cl)F)C(=O)O

InChI

InChI=1S/C28H27ClFN3O4S/c29-17-1-4-19-25(11-17)38-10-5-16(26(19)34)14-31-6-8-32(9-7-31)24-13-23-20(12-22(24)30)27(35)21(28(36)37)15-33(23)18-2-3-18/h1,4,11-13,15-16,18H,2-3,5-10,14H2,(H,36,37)