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

Systemtic Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 4-butoxy-3-ethoxy-benzoate Openeye Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxo-ethyl] 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic 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] 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid [2-keto-2-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethyl] ester Formula: C25H31NO7S MolecularWeight: 489.58114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)OCC

InChI

InChI=1S/C25H31NO7S/c1-4-6-14-32-23-12-10-20(16-24(23)31-5-2)25(28)33-17-22(27)19-9-11-21-18(15-19)8-7-13-26(21)34(3,29)30/h9-12,15-16H,4-8,13-14,17H2,1-3H3