methyl 3-bromanyl-4-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 3-bromanyl-4-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-bromo-4-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxo-ethoxy]benzoate CAS Name: 3-bromo-4-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethoxy]benzoate Traditional Name: 3-bromo-4-[2-keto-2-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethoxy]benzoic acid methyl ester Formula: C20H20BrNO6S MolecularWeight: 482.3449

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)Br

InChI

InChI=1S/C20H20BrNO6S/c1-27-20(24)15-6-8-19(16(21)11-15)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