1-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6-fluoranyl-4-oxidanylidene-8-(phenylmethylsulfanyl)quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6-fluoranyl-4-oxidanylidene-8-(phenylmethylsulfanyl)quinoline-3-carboxylic acid Openeye Name: 8-benzylsulfanyl-1-cyclopropyl-7-(2,6-dimethyl-4-pyridyl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6-fluoro-4-oxo-8-(phenylmethylthio)-3-quinolinecarboxylic acid IUPAC Name: 8-benzylsulfanyl-1-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-(benzylthio)-1-cyclopropyl-7-(2,6-dimethyl-4-pyridyl)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C27H23FN2O3S MolecularWeight: 474.546523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=N1)C)C2=C(C=C3C(=C2SCC4=CC=CC=C4)N(C=C(C3=O)C(=O)O)C5CC5)F

Isomeric SMILES

CC1=CC(=CC(=N1)C)C2=C(C=C3C(=C2SCC4=CC=CC=C4)N(C=C(C3=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C27H23FN2O3S/c1-15-10-18(11-16(2)29-15)23-22(28)12-20-24(26(23)34-14-17-6-4-3-5-7-17)30(19-8-9-19)13-21(25(20)31)27(32)33/h3-7,10-13,19H,8-9,14H2,1-2H3,(H,32,33)