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

Systemtic Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxo-ethyl] 3-ethoxy-4-isobutoxy-benzoate CAS Name: 3-ethoxy-4-(2-methylpropoxy)benzoic 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-ethoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-ethoxy-4-isobutoxy-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:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)OCC(C)C

InChI

InChI=1S/C25H31NO7S/c1-5-31-24-14-20(9-11-23(24)32-15-17(2)3)25(28)33-16-22(27)19-8-10-21-18(13-19)7-6-12-26(21)34(4,29)30/h8-11,13-14,17H,5-7,12,15-16H2,1-4H3