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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)OSCC4=CC=CC=C4)C5CC5)F

Isomeric SMILES

CC1=CC(=CC(=N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)OSCC4=CC=CC=C4)C5CC5)F

InChI

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