N-[(4-chlorophenyl)methyl]-8-fluoranyl-6-(2-methoxyethoxymethylsulfanyl)-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-8-fluoranyl-6-(2-methoxyethoxymethylsulfanyl)-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-fluoro-6-(2-methoxyethoxymethylsulfanyl)-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-fluoro-6-(2-methoxyethoxymethylthio)-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-fluoro-6-(2-methoxyethoxymethylsulfanyl)-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-fluoro-4-keto-6-(2-methoxyethoxymethylthio)-1H-quinoline-3-carboxamide Formula: C21H20ClFN2O4S MolecularWeight: 450.910903

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCSC1=CC(=C2C(=C1)C(=O)C(=CN2)C(=O)NCC3=CC=C(C=C3)Cl)F

Isomeric SMILES

COCCOCSC1=CC(=C2C(=C1)C(=O)C(=CN2)C(=O)NCC3=CC=C(C=C3)Cl)F

InChI

InChI=1S/C21H20ClFN2O4S/c1-28-6-7-29-12-30-15-8-16-19(18(23)9-15)24-11-17(20(16)26)21(27)25-10-13-2-4-14(22)5-3-13/h2-5,8-9,11H,6-7,10,12H2,1H3,(H,24,26)(H,25,27)