[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 2-(3,5-dimethylphenoxy)ethanoate

Systemtic Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 2-(3,5-dimethylphenoxy)ethanoate Openeye Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxo-ethyl] 2-(3,5-dimethylphenoxy)acetate CAS Name: 2-(3,5-dimethylphenoxy)acetic 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] 2-(3,5-dimethylphenoxy)acetate Traditional Name: 2-(3,5-dimethylphenoxy)acetic acid [2-keto-2-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethyl] ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)OCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)OCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)C

InChI

InChI=1S/C22H25NO6S/c1-15-9-16(2)11-19(10-15)28-14-22(25)29-13-21(24)18-6-7-20-17(12-18)5-4-8-23(20)30(3,26)27/h6-7,9-12H,4-5,8,13-14H2,1-3H3