methyl 1-cyclopropyl-6,8-bis(fluoranyl)-7-[methylsulfonyl(phenyl)methyl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: methyl 1-cyclopropyl-6,8-bis(fluoranyl)-7-[methylsulfonyl(phenyl)methyl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: methyl 1-cyclopropyl-6,8-difluoro-7-[methylsulfonyl(phenyl)methyl]-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6,8-difluoro-7-[methylsulfonyl(phenyl)methyl]-4-oxo-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-cyclopropyl-6,8-difluoro-7-[methylsulfonyl(phenyl)methyl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-7-[mesyl(phenyl)methyl]quinoline-3-carboxylic acid methyl ester Formula: C22H19F2NO5S MolecularWeight: 447.451766

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)C(C3=CC=CC=C3)S(=O)(=O)C)F)C4CC4

Isomeric SMILES

COC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)C(C3=CC=CC=C3)S(=O)(=O)C)F)C4CC4

InChI

InChI=1S/C22H19F2NO5S/c1-30-22(27)15-11-25(13-8-9-13)19-14(20(15)26)10-16(23)17(18(19)24)21(31(2,28)29)12-6-4-3-5-7-12/h3-7,10-11,13,21H,8-9H2,1-2H3