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

Systemtic Name: 1-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6-fluoranyl-8-(phenylmethylsulfanyl)-4H-quinoline-3-carboxylic acid Openeye Name: 8-benzylsulfanyl-1-cyclopropyl-7-(2,6-dimethyl-4-pyridyl)-6-fluoro-4H-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6-fluoro-8-(phenylmethylthio)-4H-quinoline-3-carboxylic acid IUPAC Name: 8-benzylsulfanyl-1-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6-fluoro-4H-quinoline-3-carboxylic acid Traditional Name: 8-(benzylthio)-1-cyclopropyl-7-(2,6-dimethyl-4-pyridyl)-6-fluoro-4H-quinoline-3-carboxylic acid Formula: C27H25FN2O2S MolecularWeight: 460.563003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=N1)C)C2=C(C=C3CC(=CN(C3=C2SCC4=CC=CC=C4)C5CC5)C(=O)O)F

Isomeric SMILES

CC1=CC(=CC(=N1)C)C2=C(C=C3CC(=CN(C3=C2SCC4=CC=CC=C4)C5CC5)C(=O)O)F

InChI

InChI=1S/C27H25FN2O2S/c1-16-10-19(11-17(2)29-16)24-23(28)13-20-12-21(27(31)32)14-30(22-8-9-22)25(20)26(24)33-15-18-6-4-3-5-7-18/h3-7,10-11,13-14,22H,8-9,12,15H2,1-2H3,(H,31,32)