[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 3-fluoranyl-4-methoxy-benzoate

Systemtic Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 3-fluoranyl-4-methoxy-benzoate Openeye Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxo-ethyl] 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid [2-keto-2-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethyl] ester Formula: C20H20FNO6S MolecularWeight: 421.439303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)F

InChI

InChI=1S/C20H20FNO6S/c1-27-19-8-6-15(11-16(19)21)20(24)28-12-18(23)14-5-7-17-13(10-14)4-3-9-22(17)29(2,25)26/h5-8,10-11H,3-4,9,12H2,1-2H3